Molecular Properties | |
SMILES: | O=C(CCl)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 |
MW: | 347.03 |
Fraction sp3: | 0.42 |
HBA: | 5 |
HBD: | 0 |
Rotatable Bonds: | 4 |
TPSA: | 100.83 |
cLogP: | 0.67 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
Source | |
Mcule: | MCULE-8412455061 |
MolPort: | MolPort-005-310-802 |
nitro group
Oxygen-nitrogen single bond
aromatic NO2
Dye 16 (1)
Hetero_hetero
SAD-SAT-9a6c5cf3-5
0.726
AAR-POS-d2a4d1df-44
0.667
MAR-TRE-6a44bbf2-58
0.655
AAR-POS-d2a4d1df-27
0.655
KAY-MCD-d0fe5261-1
0.655
MAR-TRE-6a44bbf2-68
0.655
MAR-LAB-efb042c5-5
0.655
MAK-UNK-7c9d1431-13
0.643
MAR-TRE-6a44bbf2-78
0.643
MAK-UNK-7c9d1431-4
0.639
TAT-ENA-80bfd3e5-25
0.639
MAK-UNK-c74072e5-8
0.621
MAK-UNK-7c9d1431-17
0.621
MAR-TRE-6a44bbf2-21
0.618
MAK-UNK-7c9d1431-9
0.618
PEI-IMP-ca0b2813-2
0.596
MAK-UNK-7c9d1431-22
0.590
SAD-SAT-3a925b8b-2
0.569
MAK-UNK-7c9d1431-10
0.557
MAT-POS-ee51dedd-2
0.542
MAR-TRE-6a44bbf2-26
0.541
MAK-UNK-7c9d1431-8
0.541
ABB-MCD-f8003a30-1
0.532
MAR-TRE-6a44bbf2-32
0.532
MAK-UNK-7c9d1431-19
0.531
SAD-SAT-bc31ec01-5
0.525
LON-WEI-8f408cad-4
0.525
AAR-POS-d2a4d1df-23
0.525
MAR-TRE-6a44bbf2-18
0.525
PEI-IMP-ca0b2813-1
0.516
MAK-UNK-d4768348-5
0.508
SAD-SAT-f2e2579e-5
0.500
SAD-SAT-f2e2579e-10
0.500
MAK-UNK-7c9d1431-3
0.493
MAK-UNK-d4768348-1
0.492
MAK-UNK-d4768348-4
0.492
SAD-SAT-3a925b8b-9
0.492
MAR-TRE-6a44bbf2-49
0.485
MAR-TRE-6a44bbf2-31
0.485
MAK-UNK-7c9d1431-5
0.485
MAK-UNK-7c9d1431-7
0.485
MAR-TRE-6a44bbf2-65
0.485
TAT-ENA-80bfd3e5-43
0.485
MAK-UNK-7c9d1431-11
0.485
SAD-SAT-bc31ec01-4
0.484
MAR-TRE-6a44bbf2-4
0.484
LON-WEI-8f408cad-2
0.484
MAK-UNK-d4768348-8
0.484
AAR-POS-d2a4d1df-32
0.484
MAR-TRE-6a44bbf2-38
0.478
MAK-UNK-7c9d1431-1
0.478
MAK-UNK-d4768348-7
0.476
MED-COV-4280ac29-5
0.474
SAD-SAT-9a6c5cf3-9
0.474
IND-SYN-6c8299e8-2
0.471
PEI-IMP-ca0b2813-3
0.471
AAR-POS-d2a4d1df-22
0.468
LON-WEI-8f408cad-3
0.468
AAR-POS-0daf6b7e-15
0.468
MAR-TRE-6a44bbf2-52
0.468
MAR-TRE-6a44bbf2-36
0.465
MAK-UNK-7c9d1431-2
0.465
AAR-POS-d2a4d1df-37
0.463
MAR-TRE-6a44bbf2-7
0.463
SAD-SAT-3a925b8b-3
0.460
MAK-UNK-7c9d1431-12
0.460
NIM-UNI-05f93fcc-1
0.460
MAK-UNK-d4768348-2
0.460
PED-UNI-b79f0f51-1
0.457
MAR-TRE-6a44bbf2-8
0.446
AAR-POS-d2a4d1df-34
0.446
SAD-SAT-9a6c5cf3-2
0.442
MAK-UNK-d4768348-9
0.441
SAD-SAT-3a925b8b-6
0.438
MAR-TRE-6a44bbf2-13
0.433
WAR-XCH-79d12f6e-6
0.433
AAR-POS-0daf6b7e-3
0.433
AAR-POS-d2a4d1df-36
0.433
MAK-UNK-d4768348-3
0.431
BEN-DND-76ad4ac9-14
0.429
NIM-UNI-05f93fcc-11
0.423
MAR-TRE-6a44bbf2-45
0.423
MAK-UNK-7c9d1431-30
0.423
SAD-SAT-3a925b8b-7
0.418
MAK-UNK-c74072e5-9
0.418
NIM-UNI-05f93fcc-2
0.417
SAD-SAT-bc31ec01-8
0.417
MAK-UNK-69bf97dd-9
0.416
BEN-DND-76ad4ac9-12
0.414
NIM-UNI-05f93fcc-14
0.411
NIM-UNI-310206f0-69
0.411
MAR-TRE-6a44bbf2-24
0.409
DAN-MCD-50ec7d1f-1
0.409
NIM-UNI-05f93fcc-3
0.405
NIM-UNI-05f93fcc-13
0.405
SAD-SAT-f2e2579e-6
0.405
NIM-UNI-05f93fcc-5
0.400
NIM-UNI-05f93fcc-7
0.400
NIM-UNI-310206f0-67
0.400
NIM-UNI-310206f0-68
0.397