Molecule Details
| Molecular Properties | |
| SMILES: | O=C(Cc1cccc(Cl)c1)Nc1cncc(Cl)c1Cl |
| MW: | 313.98 |
| Fraction sp3: | 0.08 |
| HBA: | 2 |
| HBD: | 1 |
| Rotatable Bonds: | 3 |
| TPSA: | 41.99 |
| cLogP: | 4.22 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
| Source | |
| Enamine REAL: | Z1615464497 |
| Mcule: | MCULE-9212333750 |
4-halopyridine
ALE-HEI-f28a35b5-9
SAM-UNK-2684b532-13
0.617
ALP-POS-95b75b4d-8
0.617
TRY-UNI-714a760b-6
0.597
PET-UNK-8df914d1-3
0.597
ALP-POS-95b75b4d-6
0.581
TRY-UNI-714a760b-3
0.578
MIC-UNK-50cce87d-2
0.567
MAT-POS-bb423b95-9
0.567
EDG-MED-0da5ad92-16
0.565
ABI-SAT-4d06482b-2
0.562
JOH-UNI-abfda500-5
0.554
JOH-UNI-abfda500-4
0.554
ANN-UNI-98d2bf15-3
0.554
ADA-UCB-6c2cb422-1
0.552
MAK-UNK-6ca90168-23
0.545
MAT-POS-bb423b95-1
0.544
MIC-UNK-8971c93c-1
0.543
MAT-POS-f7918075-4
0.543
EDG-MED-0da5ad92-21
0.540
SAM-UNK-2684b532-11
0.537
SAM-UNK-2684b532-12
0.537
MAT-POS-bb423b95-5
0.537
EDJ-MED-a364e151-3
0.536
ALP-POS-95b75b4d-7
0.529
MAT-POS-bb423b95-8
0.529
MIC-UNK-50cce87d-1
0.529
MIC-UNK-50cce87d-3
0.529
MAT-POS-bb423b95-2
0.529
MAT-POS-199e2e7c-1
0.529
MAT-POS-f7918075-5
0.529
JAN-GHE-5a013bed-9
0.525
EDJ-MED-c8e7a002-12
0.522
ALP-POS-95b75b4d-5
0.522
MAT-POS-bb423b95-4
0.522
EDJ-MED-a364e151-1
0.521
MAT-POS-f7918075-3
0.521
MIC-UNK-08cd9c58-1
0.521
EDJ-MED-a364e151-2
0.521
MAT-POS-f7918075-8
0.521
PET-UNK-8df914d1-4
0.516
ALP-POS-0c2c77e1-1
0.514
MAT-POS-bb423b95-3
0.514
MIC-UNK-50cce87d-4
0.514
MAT-POS-f7918075-7
0.514
JAN-GHE-5a013bed-8
0.508
EDG-MED-0da5ad92-2
0.508
EDG-MED-0da5ad92-14
0.508
EDG-MED-0da5ad92-12
0.508
EDG-MED-0da5ad92-17
0.507
JOH-UNI-3fc3434e-3
0.500
JOH-UNI-ee5ed7c8-3
0.500
JAN-GHE-5a013bed-6
0.500
EDJ-MED-00c1612e-1
0.500
PET-UNK-8df914d1-1
0.500
MAT-POS-14ad9fe9-1
0.493
EDJ-MED-976da9a6-2
0.493
EDJ-MED-976da9a6-1
0.493
MIC-UNK-d935700b-1
0.493
JOH-UNI-ee5ed7c8-1
0.487
JOH-UNI-3fc3434e-1
0.487
VLA-UCB-00f2c2b3-7
0.486
AGN-NEW-c7b24fe3-4
0.485
AGN-NEW-c7b24fe3-5
0.485
MIC-UNK-66895286-1
0.484
JAN-GHE-5a013bed-11
0.484
AGN-NEW-c7b24fe3-1
0.478
EDJ-MED-50fe53e8-2
0.472
MAT-POS-f7918075-6
0.472
EDG-MED-0da5ad92-13
0.470
JAN-GHE-5a013bed-7
0.469
NAU-LAT-e1818702-10
0.469
MIC-UNK-d935700b-2
0.466
JOH-UNI-6fede743-1
0.466
JOH-UNI-6fede743-3
0.465
MAT-POS-bb423b95-6
0.465
EDJ-MED-49816e9b-3
0.463
PET-UNK-8df914d1-5
0.451
NAU-LAT-e1818702-7
0.448
JAG-UCB-a3ef7265-17
0.448
JAG-UCB-a3ef7265-15
0.448
EDJ-MED-49816e9b-2
0.448
EDJ-MED-c8e7a002-16
0.446
JOH-UNI-ee5ed7c8-2
0.446
JOH-UNI-3fc3434e-2
0.446
ALP-POS-3b848b35-3
0.444
EDJ-MED-49816e9b-5
0.441
JOH-UNI-ee5ed7c8-4
0.440
JOH-UNI-3fc3434e-4
0.440
PET-UNK-8df914d1-2
0.438
MAT-POS-4211dce8-1
0.438
EDJ-MED-50fe53e8-3
0.438
EDG-MED-0da5ad92-6
0.435
EDG-MED-0da5ad92-15
0.435
JOH-UNI-3fc3434e-8
0.434
JOH-UNI-ee5ed7c8-8
0.434
JOH-UNI-6fede743-4
0.432
EDJ-MED-50fe53e8-1
0.432
MAT-POS-3cc264b0-1
0.432
MAT-POS-e1b5ac6b-1
0.432
EDG-MED-0da5ad92-18
0.429