Molecular Properties | |
SMILES: | O=C(CCl)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 |
MW: | 283.07 |
Fraction sp3: | 0.42 |
HBA: | 4 |
HBD: | 0 |
Rotatable Bonds: | 3 |
TPSA: | 66.69 |
cLogP: | 1.48 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
Order Status | |
Shipped: | 2021-04-16 |
nitro group
Oxygen-nitrogen single bond
N,N-Dialkyl aniline derivatives (2)
aromatic NO2
Dye 16 (1)
Dye 29
MAT-POS-162a9720-4
0.608
AAR-POS-0daf6b7e-18
0.574
MAK-UNK-7c9d1431-6
0.525
AAR-POS-d2a4d1df-28
0.475
SAD-SAT-65574d3f-9
0.466
AHN-SAT-de2502ba-3
0.460
SAD-SAT-5b1897b2-4
0.458
MAT-POS-162a9720-2
0.444
NIL-NON-a189c016-1
0.444
SAD-SAT-9a6c5cf3-5
0.431
YOI-UNK-090ea88a-1
0.431
TAT-ENA-80bfd3e5-25
0.412
MAK-UNK-7c9d1431-4
0.412
SAD-SAT-1b030f84-9
0.409
NIM-UNI-310206f0-7
0.403
SAD-SAT-5b1897b2-10
0.400
VIK-SYN-bf9c9ac8-7
0.397
VIK-SYN-9a3d118a-4
0.397
MAR-TRE-6a44bbf2-87
0.397
SAD-SAT-5b1897b2-3
0.393
NIM-UNI-310206f0-6
0.381
LAV-MCD-880a620a-1
0.381
MAK-UNK-704ed37c-11
0.380
JIA-UNI-93b03cae-1
0.375
SAD-SAT-5b1897b2-1
0.371
AAR-POS-0daf6b7e-21
0.360
MAK-UNK-7c9d1431-10
0.358
AAR-POS-0daf6b7e-16
0.355
PED-UNI-b79f0f51-1
0.354
SAD-SAT-5b1897b2-8
0.354
SWA-SYN-d2e6fa14-7
0.353
MAK-UNK-6ca90168-6
0.353
SWA-SYN-6423ea73-7
0.353
MAK-UNK-6ca90168-18
0.352
MAK-UNK-6ca90168-17
0.352
MAK-UNK-704ed37c-12
0.352
DRR-IMP-38dce17f-3
0.350
MAK-UNK-7c9d1431-24
0.350
MAK-UNK-987948f6-2
0.350
AHN-SAT-de2502ba-7
0.349
MAK-UNK-6ca90168-9
0.348
DAV-CRI-d1e0885a-1
0.348
DRR-IMP-db50bf6e-3
0.344
MAK-UNK-7c9d1431-29
0.344
MAK-UNK-987948f6-3
0.344
DRR-IMP-dff87f5e-3
0.344
MAK-UNK-6ca90168-14
0.344
DRR-IMP-38dce17f-7
0.344
AAR-POS-d2a4d1df-44
0.344
VIK-SYN-bf9c9ac8-6
0.343
VIK-SYN-9a3d118a-2
0.343
DRR-IMP-dff87f5e-9
0.343
DRR-IMP-38dce17f-8
0.342
SAD-SAT-3a925b8b-5
0.339
SIM-SYN-f15aaa3a-1
0.339
DRR-IMP-db50bf6e-1
0.339
AHN-SAT-de2502ba-8
0.339
AAR-POS-d2a4d1df-25
0.339
AAR-POS-d2a4d1df-29
0.339
MAR-TRE-6a44bbf2-61
0.339
MAK-UNK-6ca90168-20
0.339
DRR-IMP-38dce17f-6
0.339
DRR-IMP-dff87f5e-1
0.338
MAR-LAB-ca4662a6-2
0.338
DRR-IMP-dff87f5e-7
0.338
MAR-LAB-efb042c5-5
0.338
MAR-TRE-6a44bbf2-58
0.338
KAY-MCD-d0fe5261-1
0.338
MAR-TRE-6a44bbf2-68
0.338
AAR-POS-d2a4d1df-27
0.338
NIM-UNI-310206f0-1
0.338
SAD-SAT-3a925b8b-1
0.333
MAK-UNK-987948f6-5
0.333
MAR-TRE-6a44bbf2-78
0.333
MAK-UNK-7c9d1431-13
0.333
JAY-UNK-11f5bdbd-1
0.333
JOH-UNI-27ac80fd-25
0.333
MAR-TRE-6a44bbf2-29
0.333
VIK-SYN-bf9c9ac8-2
0.333
SWA-SYN-6423ea73-1
0.333
SWA-SYN-d2e6fa14-1
0.333
MAR-TRE-6a44bbf2-1
0.333
MAK-UNK-6ca90168-4
0.333
MAK-UNK-6ca90168-5
0.333
MAR-TRE-6a44bbf2-92
0.333
MAK-UNK-6ca90168-16
0.333
MAR-TRE-6a44bbf2-41
0.333
NIM-UNI-310206f0-29
0.329
MAK-UNK-7c9d1431-22
0.329
NEH-REV-107bcf72-5
0.328
MAR-TRE-6a44bbf2-86
0.328
LON-WEI-120e5cf5-15
0.328
MAK-UNK-212f693e-13
0.328
MAR-TRE-6a44bbf2-21
0.328
LON-WEI-8f408cad-7
0.328
AAR-POS-0daf6b7e-13
0.328
MAK-UNK-6ca90168-10
0.328
MAK-UNK-212f693e-8
0.328
MAK-UNK-7c9d1431-9
0.328
DRR-IMP-dff87f5e-4
0.328