Molecular Properties | |
SMILES: | O=C(Nc1cccnc1)c1cc(C(=O)Nc2cccnc2)cc([N+](=O)[O-])c1 |
MW: | 363.1 |
Fraction sp3: | 0.0 |
HBA: | 6 |
HBD: | 2 |
Rotatable Bonds: | 5 |
TPSA: | 127.12 |
cLogP: | 2.89 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-4744359927 |
MolPort: | MolPort-000-681-361 |
nitro group
Oxygen-nitrogen single bond
aromatic NO2
Dye 16 (1)
ALE-HEI-f28a35b5-9
CHR-SOS-7098f804-12
0.492
CHR-SOS-7098f804-18
0.451
MAR-TRE-2fd8122f-34
0.432
EMI-TUK-a58865cc-2
0.425
JAN-GHE-4287bd1a-9
0.424
MAR-TRE-2fd8122f-58
0.423
MAR-TRE-f6f5f473-29
0.419
KEI-TRE-d5e2018a-28
0.419
MAR-TRE-67513f76-81
0.418
CHR-SOS-7098f804-19
0.418
MAR-TRE-2fd8122f-82
0.413
MAK-UNK-ca11b4f7-2
0.411
MAK-UNK-ca11b4f7-3
0.411
MAR-TRE-2fd8122f-65
0.408
KEI-TRE-d5e2018a-32
0.405
MAR-TRE-3e4e6814-34
0.405
JOH-IMS-62aeb97d-5
0.404
MAK-UNK-ca11b4f7-1
0.404
CHR-SOS-7098f804-11
0.403
KEI-TRE-d5e2018a-86
0.397
KEI-TRE-d5e2018a-4
0.397
MAR-TRE-2fd8122f-24
0.392
KEI-TRE-d5e2018a-35
0.391
KEI-TRE-d5e2018a-12
0.391
MED-UNK-e6e8ef8a-1
0.388
MED-UNK-e6e8ef8a-7
0.388
KEI-TRE-d5e2018a-45
0.387
KEI-TRE-d5e2018a-14
0.387
ANT-DIA-3c79be55-4
0.386
CHR-SOS-7098f804-22
0.386
MAR-TRE-3e4e6814-45
0.385
MAR-TRE-f6f5f473-75
0.385
KEI-TRE-d5e2018a-22
0.385
AAR-POS-d2a4d1df-11
0.383
SAN-PRS-52b81272-2
0.381
KEI-TRE-d5e2018a-48
0.380
MAR-TRE-2fd8122f-22
0.380
MAR-TRE-2fd8122f-31
0.380
MAR-TRE-b77b7921-70
0.380
MAR-TRE-f6f5f473-79
0.380
KEI-TRE-d5e2018a-58
0.380
MAR-TRE-4b834d9a-43
0.380
MAR-TRE-c317dd82-59
0.377
WAR-XCH-eb7b662f-3
0.375
MAR-TRE-4b834d9a-92
0.373
KEI-TRE-d5e2018a-2
0.373
KEI-TRE-d5e2018a-60
0.371
CHR-SOS-7098f804-14
0.370
MAR-TRE-2fd8122f-27
0.369
DAR-DIA-23aa0b97-15
0.369
DAR-DIA-842b4336-2
0.369
MED-UNK-e6e8ef8a-6
0.368
CHR-SOS-363cfb78-1
0.368
MAK-UNK-10dfa458-24
0.367
KEI-TRE-d5e2018a-36
0.367
MAR-TRE-04c86cea-90
0.367
KEI-TRE-d5e2018a-70
0.366
ALE-HEI-f28a35b5-15
0.365
WIL-UNI-5578df48-2
0.365
ALE-HEI-f28a35b5-14
0.365
WAR-XCH-eb7b662f-7
0.364
JOR-UNI-2fc98d0b-7
0.364
JAN-GHE-83b26c96-19
0.364
DAR-DIA-23aa0b97-14
0.364
JOH-IMS-62aeb97d-4
0.364
WAR-XCH-eb7b662f-6
0.364
MAR-TRE-4b834d9a-57
0.362
MAR-TRE-04c86cea-65
0.361
CHR-SOS-7098f804-13
0.360
KEI-TRE-d5e2018a-44
0.360
DAR-DIA-842b4336-1
0.359
SAN-PRS-52b81272-3
0.359
MAK-UNK-129dcd6f-9
0.359
CHR-SOS-7098f804-15
0.359
MAK-UNK-10dfa458-31
0.359
ALE-HEI-f28a35b5-8
0.358
MAK-UNK-d1e89583-7
0.358
KEI-TRE-d5e2018a-100
0.358
MAR-TRE-2fd8122f-85
0.358
MAR-TRE-f6f5f473-36
0.358
KEI-TRE-d5e2018a-91
0.358
MAR-TRE-4b834d9a-67
0.357
KEI-TRE-d5e2018a-83
0.357
DAR-DIA-842b4336-9
0.357
MAR-TRE-4b834d9a-71
0.356
SAD-SAT-24589cd1-4
0.354
MAR-TRE-2fd8122f-52
0.354
AAR-POS-d2a4d1df-13
0.353
ALE-HEI-f28a35b5-9
0.353
ALE-HEI-f28a35b5-4
0.353
DAR-DIA-23aa0b97-16
0.353
FRA-FAC-9ed5a63a-1
0.353
JOH-IMS-62aeb97d-1
0.353
KEI-TRE-d5e2018a-53
0.353
MAK-UNK-a7b37c5e-1
0.353
MAR-TRE-67513f76-93
0.352
MAK-UNK-129dcd6f-12
0.351
EMI-TUK-a58865cc-4
0.351
MAR-TRE-2fd8122f-84
0.349
KEI-TRE-d5e2018a-71
0.349