Molecule Details
| Molecular Properties | |
| SMILES: | O=C(Cc1cccc(Cl)c1)Nn1nncc1C1CC1 |
| MW: | 276.08 |
| Fraction sp3: | 0.31 |
| HBA: | 4 |
| HBD: | 1 |
| Rotatable Bonds: | 4 |
| TPSA: | 59.81 |
| cLogP: | 2.12 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
Singel acyclic N-N bonds
JAN-GHE-f4ca5a00-20
0.537
JAN-GHE-f4ca5a00-14
0.534
JAN-GHE-5a013bed-1
0.507
JAN-GHE-f4ca5a00-16
0.500
MAT-POS-bfb445d4-2
0.493
JAN-GHE-5a013bed-5
0.485
JAN-GHE-f4ca5a00-23
0.447
EDG-MED-0da5ad92-15
0.427
PET-UNK-8df914d1-5
0.423
JAN-GHE-5a013bed-4
0.419
MIC-UNK-13557a72-1
0.413
ALP-POS-95b75b4d-5
0.412
MAT-POS-bb423b95-4
0.412
PET-UNK-f92d7c0c-4
0.411
ALP-POS-90e38439-2
0.411
MIC-UNK-42806bd5-1
0.411
PET-UNK-f92d7c0c-5
0.411
MAT-POS-500ca5bf-2
0.411
NAU-LAT-e1818702-1
0.410
JAN-GHE-f4ca5a00-12
0.410
ALP-POS-8b8a49e1-6
0.405
RUB-POS-1325a9ea-16
0.405
JAN-GHE-5a013bed-2
0.405
NAM-UNK-f7c77a48-3
0.403
JAN-GHE-5a013bed-6
0.403
MIC-UNK-d935700b-2
0.402
NAU-LAT-e1818702-10
0.397
JAN-GHE-5a013bed-7
0.397
ALP-POS-8b8a49e1-7
0.397
JIN-POS-6dc588a4-9
0.395
VLA-UNK-dc1d9354-1
0.395
EDJ-MED-49816e9b-5
0.395
EDG-MED-0da5ad92-2
0.392
BEN-DND-02317c5c-9
0.390
EDJ-MED-50fe53e8-4
0.390
JUL-TUD-06b2044f-25
0.388
MIC-UNK-42806bd5-2
0.387
ALP-POS-8b8a49e1-5
0.387
MIC-UNK-fc94cdb5-1
0.387
ALP-POS-90e38439-3
0.387
VLA-UNK-411a133b-2
0.387
RUB-POS-1325a9ea-6
0.386
JAN-GHE-5a013bed-3
0.386
MIC-UNK-4c7b8ba7-1
0.385
ALP-POS-8b8a49e1-8
0.385
JAN-GHE-5a013bed-9
0.384
BEN-DND-02317c5c-8
0.383
PET-UNK-e44ffd04-1
0.383
NAU-LAT-a5c7d7cb-12
0.383
VLA-UNK-411a133b-1
0.382
JAG-UCB-a3ef7265-15
0.382
JAG-UCB-a3ef7265-17
0.382
NAU-LAT-e1818702-7
0.382
EDG-MED-0da5ad92-16
0.382
NAM-UNK-f7c77a48-4
0.382
PET-UNK-8df914d1-4
0.382
RUB-POS-1325a9ea-20
0.378
PET-UNK-f92d7c0c-2
0.378
PET-UNK-f92d7c0c-8
0.378
PET-UNK-8df914d1-2
0.378
PET-UNK-f92d7c0c-1
0.377
EDJ-MED-49816e9b-3
0.377
PET-UNK-f92d7c0c-6
0.377
JUL-TUD-06b2044f-24
0.375
NAU-LAT-e1818702-9
0.373
EDJ-MED-50fe53e8-1
0.373
MAT-POS-3cc264b0-1
0.373
JAN-GHE-5a013bed-8
0.373
MIC-UNK-66895286-1
0.373
PET-UNK-158bee2a-4
0.373
MAT-POS-0bc33984-2
0.372
MIC-UNK-b12b7f76-2
0.370
RUB-POS-1325a9ea-18
0.369
EDJ-MED-c8e7a002-8
0.369
EDJ-MED-6e43a462-4
0.369
ROB-UNI-daaf9793-2
0.369
NAU-LAT-a5c7d7cb-14
0.369
JAN-GHE-5a013bed-10
0.368
JIN-POS-6dc588a4-8
0.366
RUB-POS-1325a9ea-24
0.366
MIC-UNK-8373f97b-5
0.366
PET-UNK-158bee2a-2
0.365
RUB-POS-1325a9ea-7
0.365
RUB-POS-1325a9ea-8
0.365
RUB-POS-1325a9ea-21
0.365
PET-UNK-158bee2a-3
0.364
EDJ-MED-239d8ca5-1
0.364
ALP-POS-95b75b4d-8
0.364
SAM-UNK-2684b532-13
0.364
EDJ-MED-49816e9b-2
0.364
EDG-MED-0da5ad92-13
0.364
EDG-MED-0da5ad92-21
0.364
MAT-POS-0bc33984-1
0.362
RUB-POS-1325a9ea-17
0.361
VLA-UCB-1dbca3b4-1
0.361
JIN-POS-6dc588a4-7
0.361
ALP-POS-90e38439-1
0.361
RUB-POS-1325a9ea-23
0.361
EDJ-MED-50fe53e8-3
0.361
MIC-UNK-8373f97b-4
0.361