Molecular Properties | |
SMILES: | O=C(CCl)N1CCN(c2ccccc2[N+](=O)[O-])CC1 |
MW: | 283.715 |
Fraction sp3: | 0.42 |
HBA: | 4 |
HBD: | 0 |
Rotatable Bonds: | 3 |
TPSA: | 66.69 |
cLogP: | 1.4822 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
Source | |
Enamine Extended REAL: | m_270062____7595420____8147258 |
Mcule: | MCULE-2719553642 |
MolPort: | MolPort-005-310-787 |
Order Status | |
Shipped: | 2021-04-16 |
nitro group
Oxygen-nitrogen single bond
aromatic NO2
Dye 16 (1)
AAR-POS-d2a4d1df-1
SAL-INS-1c7a5a55-12
SAL-INS-1c7a5a55-11
SAL-INS-1c7a5a55-5
SAL-INS-1c7a5a55-4
SAL-INS-1c7a5a55-10
SAL-INS-1c7a5a55-9
SAL-INS-1c7a5a55-8
SAL-INS-1c7a5a55-6
SAL-INS-1c7a5a55-2
SAL-INS-1c7a5a55-1
SAL-INS-1c7a5a55-7
SAL-INS-1c7a5a55-3
MAT-CRI-9411f3da-1
MAT-CRI-b80b8c24-1
MAT-CRI-b80b8c24-2
MAK-UNK-3f402c2b-26
MAK-UNK-3f402c2b-24
MAK-UNK-3f402c2b-23
MAK-UNK-3f402c2b-20
MAK-UNK-3f402c2b-17
MAK-UNK-3f402c2b-16
MAK-UNK-3f402c2b-15
MAK-UNK-3f402c2b-14
MAK-UNK-3f402c2b-13
MAK-UNK-3f402c2b-11
MAK-UNK-3f402c2b-10
MAK-UNK-3f402c2b-8
MAK-UNK-3f402c2b-7
MAK-UNK-3f402c2b-6
MAK-UNK-3f402c2b-5
MAK-UNK-3f402c2b-3
MAK-UNK-3f402c2b-28
MAK-UNK-3f402c2b-27
MAK-UNK-3f402c2b-21
MAK-UNK-3f402c2b-25
MAK-UNK-3f402c2b-18
MAK-UNK-3f402c2b-12
MAK-UNK-3f402c2b-9
MAK-UNK-3f402c2b-2
MAK-UNK-3f402c2b-1
MAK-UNK-3f402c2b-4
MAK-UNK-3f402c2b-19
MAK-UNK-3f402c2b-22
MAK-UNK-3f402c2b-29
DAV-IMP-59dd6621-23
0.643
AHN-SAT-de2502ba-3
0.600
SAD-SAT-1f400d17-5
0.588
SAD-SAT-5b1897b2-10
0.544
MAT-POS-162a9720-5
0.475
DUN-NEW-f8ce3686-3
0.471
MAK-UNK-3f402c2b-6
0.435
SAD-SAT-5b1897b2-3
0.413
SAD-SAT-f2e2579e-6
0.405
VIK-SYN-9a3d118a-4
0.393
MAR-TRE-6a44bbf2-87
0.393
VIK-SYN-bf9c9ac8-7
0.393
SAD-SAT-65574d3f-9
0.391
MAT-POS-162a9720-4
0.387
SAD-SAT-9a6c5cf3-1
0.386
SAD-SAT-5b1897b2-4
0.385
MAK-UNK-7c9d1431-6
0.382
SAD-SAT-9a6c5cf3-3
0.382
MAK-UNK-704ed37c-11
0.377
SAD-SAT-1b030f84-9
0.375
AAR-POS-0daf6b7e-16
0.375
MAK-UNK-7c9d1431-24
0.371
MAK-UNK-987948f6-2
0.371
DRR-IMP-38dce17f-3
0.371
MAK-UNK-7c9d1431-4
0.370
TAT-ENA-80bfd3e5-25
0.370
MAK-UNK-6ca90168-10
0.369
AHN-SAT-de2502ba-7
0.369
AAR-POS-0daf6b7e-18
0.369
MAK-UNK-c74072e5-10
0.365
DRR-IMP-38dce17f-8
0.360
SIM-SYN-f15aaa3a-1
0.359
NIL-NON-a189c016-1
0.357
MAT-POS-162a9720-2
0.357
MAK-UNK-3d7e3904-2
0.355
MAK-UNK-7c9d1431-9
0.348
MAR-TRE-6a44bbf2-21
0.348
DRR-IMP-38dce17f-1
0.348
SAD-SAT-5b1897b2-1
0.348
MAK-UNK-6ca90168-9
0.348
PAU-UNI-b2b6b158-1
0.347
DRR-IMP-db50bf6e-3
0.344
AAR-POS-0daf6b7e-17
0.343
DRR-IMP-38dce17f-5
0.343
LON-WEI-8f408cad-5
0.343
AAR-POS-d2a4d1df-44
0.343
DRR-IMP-dff87f5e-3
0.343
MAK-UNK-987948f6-15
0.343
LON-WEI-120e5cf5-5
0.343
DUN-NEW-f8ce3686-2
0.341
TAM-UNI-d1c3dd9f-9
0.341
MAR-TRE-6a44bbf2-61
0.338
AAR-POS-d2a4d1df-29
0.338
LON-WEI-8f408cad-3
0.338
DRR-IMP-dff87f5e-7
0.338
MAR-TRE-6a44bbf2-52
0.338
AAR-POS-d2a4d1df-22
0.338
NIM-UNI-310206f0-6
0.338
NIM-UNI-310206f0-1
0.338
MAK-UNK-6ca90168-5
0.333
MAK-UNK-6ca90168-4
0.333
MAR-TRE-6a44bbf2-92
0.333
MAK-UNK-7c9d1431-12
0.333
MAK-UNK-7c9d1431-20
0.333
MAK-UNK-7c9d1431-23
0.333
SAD-SAT-65574d3f-1
0.333
AHN-SAT-de2502ba-14
0.333
AAA-OOO-6ef70637-1
0.333
SAD-SAT-5b1897b2-8
0.333
MAK-UNK-6ca90168-6
0.333
MAR-TRE-6a44bbf2-28
0.333
JIA-UNI-93b03cae-1
0.333
SWA-SYN-d2e6fa14-1
0.333
JOH-UNI-27ac80fd-25
0.333
MIH-UNI-e573136b-5
0.333
SWA-SYN-6423ea73-2
0.333
SWA-SYN-6423ea73-1
0.333
SWA-SYN-d2e6fa14-2
0.333
AAR-POS-0daf6b7e-21
0.333
AAR-POS-d2a4d1df-24
0.333
ANT-STE-dbb91f63-3
0.329
DAV-CRI-d1e0885a-1
0.329
NIR-THE-0d6461ce-1
0.329
MAK-UNK-15efde89-1
0.329
JOH-UNI-27ac80fd-32
0.329
GIA-UNK-20b63697-7
0.329
MAK-UNK-212f693e-13
0.329
LON-WEI-120e5cf5-15
0.329
MAR-TRE-6a44bbf2-86
0.329
DRR-IMP-dff87f5e-4
0.328
GIA-UNK-7337c2f3-10
0.324
AAR-POS-d2a4d1df-37
0.324
MAR-TRE-6a44bbf2-7
0.324
NIM-UNI-310206f0-3
0.324
MAK-UNK-7c9d1431-27
0.324
VIK-SYN-bf9c9ac8-6
0.324
VIK-SYN-9a3d118a-2
0.324
AAR-POS-d2a4d1df-34
0.324
MAR-TRE-6a44bbf2-8
0.324
DRR-IMP-dff87f5e-5
0.324