Molecular Properties | |
SMILES: | O=C(Cc1cccc([N+](=O)[O-])c1)Nc1cccc2cnccc12 |
MW: | 307.1 |
Fraction sp3: | 0.06 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 85.13 |
cLogP: | 3.32 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Order Status | |
Shipped: | 2021-05-26 |
nitro group
Oxygen-nitrogen single bond
aromatic NO2
Dye 16 (1)
UNK-UNK-2ede4078-22
0.542
MAT-POS-bb423b95-1
0.469
UNK-UNK-2ede4078-13
0.435
UNK-UNK-2ede4078-32
0.429
UNK-UNK-2ede4078-23
0.424
SAD-SAT-24589cd1-1
0.419
RAL-THA-2d450e86-11
0.419
UNK-UNK-2ede4078-50
0.416
VLA-UNK-82501c2c-1
0.405
UNK-UNK-2ede4078-35
0.400
UNK-UNK-2ede4078-61
0.396
ALP-POS-95b75b4d-2
0.395
UNK-UNK-2ede4078-60
0.394
ALF-EVA-a24cc7ce-1
0.394
MAT-POS-f7918075-5
0.391
ADA-UCB-6c2cb422-1
0.388
RAL-THA-2d450e86-10
0.388
SAM-UNK-2684b532-13
0.388
ALP-POS-95b75b4d-8
0.388
RAL-THA-2d450e86-13
0.384
PET-UNK-c9c1e0d8-1
0.384
UNK-UNK-2ede4078-56
0.383
EDJ-MED-e58735b6-1
0.381
EDJ-MED-e58735b6-2
0.378
JIN-POS-6dc588a4-3
0.376
ALP-POS-95b75b4d-1
0.373
ALF-EVA-a24cc7ce-5
0.372
LON-WEI-af038623-9
0.372
RAL-THA-2d450e86-31
0.371
RAL-THA-2d450e86-12
0.371
DAR-DIA-0cde14eb-46
0.370
DAR-DIA-0cde14eb-48
0.370
JOH-UNI-abfda500-5
0.369
ANN-UNI-98d2bf15-3
0.369
UNK-UNK-2ede4078-30
0.368
PET-UNK-c9c1e0d8-2
0.367
ALP-POS-95b75b4d-6
0.366
MAT-POS-90fd5f68-41
0.366
MAK-UNK-6ca90168-23
0.365
MAT-POS-90fd5f68-39
0.362
JAN-GHE-83b26c96-13
0.361
TRY-UNI-714a760b-6
0.361
SAD-SAT-24589cd1-5
0.360
SAM-UNK-2684b532-11
0.360
ALP-POS-95b75b4d-9
0.360
MAT-POS-bb423b95-8
0.360
PET-UNK-8df914d1-1
0.359
EDJ-MED-00c1612e-1
0.359
JAN-GHE-83b26c96-12
0.357
JIN-POS-6dc588a4-11
0.356
RAL-THA-2d450e86-1
0.354
JOH-UNI-abfda500-4
0.353
EDJ-MED-c8e7a002-12
0.352
DAR-DIA-0cde14eb-78
0.352
RUB-POS-1325a9ea-4
0.352
MAT-POS-90fd5f68-29
0.351
DAR-DIA-0cde14eb-47
0.351
DAR-DIA-0cde14eb-49
0.351
MAT-POS-90fd5f68-36
0.351
ANN-UNI-98d2bf15-5
0.348
ALP-POS-95b75b4d-4
0.348
JIN-POS-6dc588a4-6
0.348
DAR-DIA-0cde14eb-1
0.348
EDJ-MED-e58735b6-4
0.348
DAR-DIA-0cde14eb-76
0.345
RUB-POS-1325a9ea-19
0.345
ANN-UNI-98d2bf15-2
0.345
JIN-POS-6dc588a4-4
0.345
MAT-POS-bb423b95-5
0.345
SAM-UNK-2684b532-12
0.345
ALP-POS-95b75b4d-3
0.345
JAN-GHE-83b26c96-14
0.345
DAR-DIA-0cde14eb-2
0.344
MAT-POS-90fd5f68-19
0.344
MAT-POS-23a8a11a-1
0.341
TRY-UNI-714a760b-20
0.341
ALP-POS-95b75b4d-7
0.341
VLA-UCB-00f2c2b3-7
0.341
MAT-POS-f7918075-3
0.341
MIC-UNK-08cd9c58-1
0.341
MAT-POS-c20a539d-5
0.340
MAT-POS-c20a539d-1
0.340
PET-UNK-6314f867-2
0.340
MAT-POS-90fd5f68-22
0.340
MAT-POS-90fd5f68-4
0.340
DAR-DIA-0cde14eb-59
0.340
MAT-POS-90fd5f68-24
0.340
JOH-UNI-abfda500-7
0.337
DAR-DIA-0cde14eb-79
0.337
MAT-POS-bb423b95-4
0.337
ALP-POS-95b75b4d-5
0.337
MIC-UNK-51049f1a-6
0.337
EDJ-MED-e58735b6-3
0.337
MAT-POS-29385cc1-3
0.337
JOH-UNI-61f30276-4
0.337
MAT-POS-90fd5f68-40
0.337
MAT-POS-c20a539d-6
0.337
MAT-POS-90fd5f68-11
0.337
PET-UNK-b38839dc-2
0.337
MAT-POS-90fd5f68-18
0.337