Molecular Properties | |
SMILES: | CS(=O)(=O)N(CC(=O)Nc1cccnc1)c1cccc([N+](=O)[O-])c1 |
MW: | 350.07 |
Fraction sp3: | 0.14 |
HBA: | 6 |
HBD: | 1 |
Rotatable Bonds: | 6 |
TPSA: | 122.51 |
cLogP: | 1.39 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-8320066751 |
MolPort: | MolPort-002-240-236 |
nitro group
Oxygen-nitrogen single bond
aromatic NO2
Dye 16 (1)
Hetero_hetero
ALE-HEI-f28a35b5-9
MAR-TRE-4b834d9a-16
0.676
KEI-TRE-d5e2018a-7
0.676
KEI-TRE-d5e2018a-2
0.598
KEI-TRE-d5e2018a-54
0.575
KEI-TRE-d5e2018a-65
0.561
KEI-TRE-d5e2018a-89
0.506
KEI-TRE-d5e2018a-64
0.500
EMI-TUK-a58865cc-2
0.494
MAR-TRE-7f7bb9f0-6
0.482
KEI-TRE-d5e2018a-31
0.465
KEI-TRE-d5e2018a-75
0.441
KEI-TRE-d5e2018a-95
0.440
MAR-TRE-d0525fbf-92
0.440
KEI-TRE-d5e2018a-84
0.433
KEI-TRE-d5e2018a-50
0.432
KEI-TRE-d5e2018a-18
0.432
KEI-TRE-d5e2018a-33
0.432
KEI-TRE-d5e2018a-87
0.430
KEI-TRE-d5e2018a-88
0.429
MAR-TRE-74c6519b-56
0.429
MAR-TRE-2fd8122f-98
0.429
KEI-TRE-d5e2018a-78
0.427
KEI-TRE-d5e2018a-39
0.427
KEI-TRE-d5e2018a-45
0.424
MAR-TRE-4b834d9a-79
0.421
KEI-TRE-d5e2018a-59
0.421
KEI-TRE-d5e2018a-46
0.417
KEI-TRE-d5e2018a-24
0.414
KEI-TRE-d5e2018a-92
0.409
JOH-IMS-62aeb97d-5
0.406
KEI-TRE-d5e2018a-60
0.404
KEI-TRE-d5e2018a-1
0.400
KEI-TRE-d5e2018a-90
0.397
MAR-TRE-67513f76-81
0.397
KEI-TRE-d5e2018a-93
0.396
KEI-TRE-d5e2018a-29
0.391
KEI-TRE-d5e2018a-14
0.391
MAK-UNK-ca11b4f7-1
0.386
KEI-TRE-d5e2018a-16
0.385
MAK-UNK-c749d764-27
0.383
CHA-MCP-85291e1d-2
0.381
MAK-UNK-c749d764-17
0.380
KEI-TRE-d5e2018a-25
0.375
MAR-TRE-2fd8122f-2
0.375
KEI-TRE-d5e2018a-81
0.372
KAL-WAB-eb347ebe-1
0.369
SAN-PRS-52b81272-2
0.368
CHA-MCP-85291e1d-4
0.368
MAK-UNK-c749d764-23
0.368
KEI-TRE-d5e2018a-19
0.367
MAR-TRE-7f7bb9f0-74
0.366
MAR-TRE-7f7bb9f0-90
0.365
DUN-NEW-f8ce3686-4
0.364
MAR-TRE-7f7bb9f0-56
0.361
CHA-MCP-85291e1d-5
0.360
EMI-TUK-a58865cc-4
0.360
TAM-UNI-c140e31a-10
0.360
KEI-TRE-d5e2018a-34
0.359
CHR-SOS-70e4c98a-5
0.359
MED-UNK-e6e8ef8a-6
0.358
DAR-DIA-842b4336-12
0.358
EDG-MED-0da5ad92-2
0.358
ANT-DIA-3c79be55-4
0.357
MAR-TRE-2fd8122f-78
0.357
KEI-TRE-d5e2018a-17
0.356
ASH-UNK-40b46b30-3
0.356
PET-SGC-d0156db4-2
0.356
ALE-HEI-f28a35b5-14
0.355
TAM-UNI-c140e31a-12
0.354
MED-UNK-e6e8ef8a-3
0.354
DAR-DIA-23aa0b97-17
0.353
MAR-TRE-67513f76-73
0.353
MAR-TRE-b77b7921-40
0.352
MAR-TRE-2fd8122f-37
0.352
KEI-TRE-d5e2018a-91
0.351
KEI-TRE-d5e2018a-100
0.351
TAM-UNI-c140e31a-14
0.351
MAR-TRE-7f7bb9f0-49
0.349
MAR-TRE-04c86cea-97
0.349
CHA-MCP-85291e1d-1
0.348
SAD-SAT-24589cd1-4
0.346
DAR-DIA-23aa0b97-16
0.346
MAK-UNK-a7b37c5e-1
0.346
MED-UNK-e6e8ef8a-4
0.345
MAK-UNK-c749d764-14
0.345
KEI-TRE-d5e2018a-69
0.344
MAK-UNK-f0bfc2e0-1
0.344
MAR-TRE-f6f5f473-46
0.344
KEI-TRE-d5e2018a-37
0.344
MAR-TRE-4b834d9a-45
0.344
MAR-TRE-2fd8122f-49
0.344
MAR-TRE-2fd8122f-91
0.344
KEI-TRE-d5e2018a-82
0.344
MAK-UNK-a7b37c5e-4
0.342
ALE-HEI-f28a35b5-5
0.341
MED-UNK-e6e8ef8a-5
0.341
DAR-DIA-842b4336-13
0.341
DAR-DIA-842b4336-11
0.341
CHR-SOS-70e4c98a-6
0.341
MAR-TRE-2fd8122f-57
0.341