Molecular Properties | |
SMILES: | Cc1cc(OCC(=O)Nc2cccnc2)ccc1[N+](=O)[O-] |
MW: | 287.09 |
Fraction sp3: | 0.14 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 94.36 |
cLogP: | 2.32 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Enamine Extended REAL: | s_22____57778____9650188 |
Mcule: | MCULE-7874547807 |
Mcule Ultimate: | ATZHDQIDGPRPAY-UHFFFAOYSA-N |
MolPort: | MolPort-002-125-771 |
nitro group
Oxygen-nitrogen single bond
aromatic NO2
Dye 16 (1)
ALE-HEI-f28a35b5-9
JOH-IMS-62aeb97d-5
0.438
BEN-VAN-ed886787-11
0.433
MAR-TRE-67513f76-81
0.429
BEN-VAN-ed886787-14
0.427
MAK-UNK-ca11b4f7-1
0.415
KEI-TRE-d5e2018a-45
0.415
SAN-PRS-52b81272-2
0.414
DAR-DIA-842b4336-16
0.413
MAR-TRE-7f7bb9f0-90
0.405
MAR-TRE-67513f76-55
0.405
ALE-HEI-f28a35b5-5
0.400
KEI-TRE-d5e2018a-4
0.391
MAK-UNK-c749d764-27
0.390
MAR-TRE-3e4e6814-50
0.388
KEI-TRE-d5e2018a-90
0.387
KEI-TRE-d5e2018a-31
0.386
KEI-TRE-d5e2018a-2
0.385
SAD-SAT-cefd50cc-7
0.383
DAR-DIA-842b4336-12
0.382
ALE-HEI-f28a35b5-14
0.380
CHR-SOS-70e4c98a-5
0.379
CHR-SOS-70e4c98a-11
0.376
MAR-TRE-7f7bb9f0-6
0.375
MAR-TRE-7f7bb9f0-46
0.375
MAR-TRE-67513f76-73
0.375
KEI-TRE-d5e2018a-88
0.374
MAR-TRE-74c6519b-56
0.374
KEI-TRE-d5e2018a-44
0.373
MAR-TRE-7f7bb9f0-49
0.372
CHR-SOS-70e4c98a-8
0.370
SAD-SAT-24589cd1-4
0.370
MAK-UNK-c749d764-17
0.368
DAR-DIA-23aa0b97-16
0.368
MAR-TRE-67513f76-93
0.367
CHR-SOS-70e4c98a-2
0.367
MAK-UNK-a7b37c5e-4
0.365
EDG-MED-0da5ad92-2
0.364
MAR-TRE-3e4e6814-6
0.364
MED-UNK-e6e8ef8a-5
0.364
MED-UNK-e6e8ef8a-6
0.364
DAR-DIA-842b4336-11
0.364
CHR-SOS-70e4c98a-6
0.362
MAR-TRE-2fd8122f-57
0.362
CHR-SOS-70e4c98a-3
0.361
MAR-TRE-67513f76-13
0.361
AUS-ARG-7cfdce8f-11
0.360
MAK-UNK-a7b37c5e-5
0.360
WAR-XCH-eb7b662f-6
0.360
MED-UNK-e6e8ef8a-3
0.359
MED-UNK-e6e8ef8a-2
0.359
FRA-FAC-9ed5a63a-2
0.359
MAK-UNK-ca11b4f7-3
0.358
DAR-DIA-23aa0b97-17
0.358
DAR-DIA-842b4336-15
0.358
MAR-TRE-9c797165-94
0.357
DAR-DIA-842b4336-10
0.355
KEI-TRE-d5e2018a-95
0.355
MAR-TRE-d0525fbf-92
0.355
MAR-TRE-7f7bb9f0-74
0.354
MAR-TRE-04c86cea-97
0.354
CHR-SOS-70e4c98a-1
0.353
CHR-SOS-f7373dd1-6
0.353
MAR-TRE-2fd8122f-98
0.353
KEI-TRE-d5e2018a-68
0.352
KEI-TRE-d5e2018a-92
0.352
CHR-SOS-70e4c98a-9
0.352
MAR-TRE-3e4e6814-79
0.352
KEI-TRE-d5e2018a-67
0.352
ALE-HEI-f28a35b5-9
0.351
FRA-FAC-9ed5a63a-1
0.351
AAR-POS-d2a4d1df-13
0.351
MAK-UNK-a7b37c5e-1
0.351
KEI-TRE-d5e2018a-50
0.351
MED-UNK-e6e8ef8a-4
0.350
MAR-TRE-7f7bb9f0-56
0.350
MAR-TRE-9c797165-52
0.349
MAR-TRE-2fd8122f-2
0.349
MAR-TRE-f6f5f473-46
0.348
KEI-TRE-d5e2018a-84
0.348
MAR-TRE-d0525fbf-84
0.347
DAR-DIA-842b4336-13
0.346
PET-SGC-1fc12be1-1
0.346
MAR-TRE-74c6519b-55
0.345
MAR-TRE-b77b7921-85
0.345
KEI-TRE-d5e2018a-74
0.345
CHR-SOS-f7373dd1-3
0.345
MAR-TRE-67513f76-22
0.344
CHR-SOS-70e4c98a-7
0.344
KEI-TRE-d5e2018a-54
0.344
CHR-SOS-70e4c98a-4
0.344
KEI-TRE-d5e2018a-75
0.344
ALE-HEI-f28a35b5-15
0.342
DAR-DIA-842b4336-3
0.342
WAR-XCH-eb7b662f-5
0.342
MAK-UNK-a7b37c5e-2
0.342
ANN-UNI-26382800-5
0.341
MAR-TRE-74c6519b-47
0.341
KAL-WAB-eb347ebe-1
0.341
CHR-SOS-f7373dd1-4
0.341
MAR-TRE-2fd8122f-37
0.341