Molecular Properties | |
SMILES: | O=C(CCl)N1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1 |
MW: | 317.03 |
Fraction sp3: | 0.42 |
HBA: | 4 |
HBD: | 0 |
Rotatable Bonds: | 3 |
TPSA: | 66.69 |
cLogP: | 2.14 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
Source | |
Mcule: | MCULE-9942984993 |
MolPort: | MolPort-005-310-788 |
nitro group
Oxygen-nitrogen single bond
Activated haloaromatics
aromatic NO2
Dye 16 (1)
VIR-GIT-7b3d3065-2
AAR-POS-d2a4d1df-28
0.600
MAT-POS-162a9720-5
0.460
SAD-SAT-5b1897b2-10
0.452
SAD-SAT-65574d3f-9
0.444
SAD-SAT-9a6c5cf3-1
0.442
AAR-POS-d2a4d1df-44
0.394
DRR-IMP-dff87f5e-3
0.394
MAK-UNK-7c9d1431-10
0.386
SAD-SAT-5b1897b2-8
0.382
DUN-NEW-f8ce3686-3
0.382
MAK-UNK-7c9d1431-29
0.375
MAT-POS-162a9720-4
0.375
DRR-IMP-db50bf6e-3
0.375
SAD-SAT-5b1897b2-4
0.373
SAD-SAT-bc31ec01-5
0.373
MAK-UNK-6ca90168-15
0.373
MAK-UNK-7c9d1431-6
0.371
DRR-IMP-38dce17f-8
0.368
HYO-UNK-49a60884-1
0.368
MED-COV-4280ac29-15
0.368
AAR-POS-d2a4d1df-35
0.368
NIM-UNI-310206f0-6
0.368
JOH-UNI-0e1753c1-3
0.368
NIM-UNI-310206f0-1
0.365
MED-COV-4280ac29-6
0.362
DAV-IMP-59dd6621-23
0.362
SAD-SAT-1b030f84-9
0.360
MAK-UNK-7c9d1431-4
0.360
TAT-ENA-80bfd3e5-25
0.360
VIK-SYN-bf9c9ac8-7
0.359
MAR-TRE-6a44bbf2-87
0.359
VIK-SYN-9a3d118a-4
0.359
SAD-SAT-5b1897b2-3
0.358
AAR-POS-0daf6b7e-18
0.358
SAD-SAT-1f400d17-5
0.358
MAK-UNK-c74072e5-10
0.356
NIM-UNI-310206f0-3
0.351
PAU-UNI-8cdd41c7-1
0.348
MAR-TRE-6a44bbf2-32
0.347
ABB-MCD-f8003a30-1
0.347
MAT-POS-162a9720-2
0.347
NIL-NON-a189c016-1
0.347
DRR-IMP-dff87f5e-8
0.347
MED-COV-4280ac29-37
0.346
SAD-SAT-f2e2579e-6
0.345
JAY-UNK-11f5bdbd-1
0.343
MED-COV-4280ac29-12
0.342
MED-COV-4280ac29-29
0.342
MED-COV-4280ac29-18
0.342
MAK-UNK-704ed37c-11
0.339
DRR-IMP-38dce17f-1
0.338
SAD-SAT-5b1897b2-1
0.338
NIM-UNI-310206f0-4
0.338
MAR-LAB-ff9967db-23
0.337
NIM-UNI-310206f0-7
0.333
HYO-UNK-50298ba0-1
0.333
MED-COV-4280ac29-7
0.333
NIM-UNI-310206f0-5
0.329
MED-COV-4280ac29-11
0.329
DAR-DIA-3e9bbd81-12
0.329
GIA-UNK-7337c2f3-2
0.329
AHN-SAT-de2502ba-15
0.329
SAD-SAT-581007d4-5
0.329
DRR-IMP-dff87f5e-7
0.329
NIM-UNI-310206f0-2
0.325
NIM-UNI-310206f0-8
0.325
GIA-UNK-7337c2f3-1
0.324
MAR-TRE-6a44bbf2-41
0.324
SAD-SAT-581007d4-7
0.324
SAD-SAT-581007d4-2
0.324
JIA-UNI-93b03cae-1
0.324
MAT-POS-2db6411e-2
0.324
SAD-SAT-581007d4-1
0.324
AAR-POS-0daf6b7e-16
0.324
SAD-SAT-1b030f84-5
0.324
AAR-POS-0daf6b7e-21
0.321
MAK-UNK-7c9d1431-22
0.320
KAT-UNK-b2a0d5b1-1
0.320
NIR-THE-0d6461ce-9
0.320
LON-WEI-8f408cad-4
0.319
MAR-TRE-6a44bbf2-18
0.319
BEN-DND-03406596-10
0.319
AAR-POS-d2a4d1df-23
0.319
DRR-IMP-dff87f5e-4
0.319
MAK-UNK-6ca90168-10
0.319
DRR-IMP-38dce17f-3
0.318
MAK-UNK-7c9d1431-24
0.318
MAK-UNK-987948f6-2
0.318
NIM-UNI-310206f0-9
0.317
MAK-UNK-6ca90168-17
0.317
MAK-UNK-7c9d1431-19
0.316
GIA-UNK-4de5abb1-1
0.316
VIK-SYN-9a3d118a-2
0.315
MAK-UNK-7c9d1431-8
0.315
VIK-SYN-bf9c9ac8-6
0.315
MAR-TRE-6a44bbf2-26
0.315
LON-WEI-120e5cf5-20
0.315
GIA-UNK-a79af1bc-1
0.315
ASH-SAT-43770c7d-10
0.314
AAR-POS-0daf6b7e-2
0.314