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
ALP-POS-95b75b4d-8
0.617
SAM-UNK-2684b532-13
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
EDJ-MED-6ab52e52-1
0.567
MAT-POS-bb423b95-9
0.567
EDG-MED-0da5ad92-16
0.565
ABI-SAT-4d06482b-2
0.562
ANN-UNI-98d2bf15-3
0.554
JOH-UNI-abfda500-4
0.554
JOH-UNI-abfda500-5
0.554
ADA-UCB-6c2cb422-1
0.552
JIN-POS-6dc588a4-14
0.551
EDJ-MED-c5ca5386-1
0.551
MAK-UNK-6ca90168-23
0.545
MAT-POS-bb423b95-1
0.544
MIC-UNK-51049f1a-6
0.544
MIC-UNK-8971c93c-1
0.543
MAT-POS-f7918075-4
0.543
EDG-MED-0da5ad92-21
0.540
RUB-POS-1325a9ea-19
0.537
JIN-POS-6dc588a4-4
0.537
JIN-POS-6dc588a4-3
0.537
SAM-UNK-2684b532-11
0.537
SAM-UNK-2684b532-12
0.537
MAT-POS-bb423b95-5
0.537
JIN-POS-6dc588a4-22
0.536
PET-UNK-e274cad4-6
0.536
JIN-POS-6dc588a4-13
0.536
PET-UNK-b1ef24dc-1
0.536
PET-UNK-b1ef24dc-2
0.536
PET-UNK-7f7e354d-7
0.536
EDJ-MED-a364e151-3
0.536
RUB-POS-1325a9ea-12
0.536
RUB-POS-1325a9ea-13
0.536
RUB-POS-1325a9ea-14
0.535
PET-UNK-e274cad4-1
0.535
ALP-POS-95b75b4d-7
0.529
MAT-POS-199e2e7c-1
0.529
MAT-POS-bb423b95-2
0.529
RUB-POS-1325a9ea-3
0.529
JIN-POS-6dc588a4-12
0.529
PET-UNK-b1ef24dc-4
0.529
RUB-POS-1325a9ea-2
0.529
MIC-UNK-50cce87d-1
0.529
MIC-UNK-50cce87d-3
0.529
JIN-POS-6dc588a4-10
0.529
RUB-POS-1325a9ea-5
0.529
RUB-POS-1325a9ea-11
0.529
PET-UNK-b1ef24dc-3
0.529
MAT-POS-bb423b95-8
0.529
MAT-POS-f7918075-5
0.529
PET-UNK-6314f867-3
0.528
JAN-GHE-5a013bed-9
0.525
MAT-POS-bb423b95-4
0.522
EDJ-MED-c8e7a002-12
0.522
ALP-POS-95b75b4d-5
0.522
EDJ-MED-a364e151-1
0.521
MAT-POS-f7918075-8
0.521
MIC-UNK-08cd9c58-1
0.521
RUB-POS-1325a9ea-15
0.521
MIC-UNK-7574fcc6-1
0.521
EDJ-MED-a364e151-2
0.521
MAT-POS-f7918075-3
0.521
JIN-POS-6dc588a4-11
0.521
PET-UNK-8df914d1-4
0.516
JIN-POS-6dc588a4-6
0.514
ALP-POS-0c2c77e1-1
0.514
MAT-POS-bb423b95-3
0.514
MAT-POS-90fd5f68-40
0.514
RUB-POS-1325a9ea-1
0.514
JIN-POS-6dc588a4-18
0.514
RUB-POS-1325a9ea-9
0.514
MAT-POS-c20a539d-6
0.514
MIC-UNK-50cce87d-4
0.514
RUB-POS-1325a9ea-4
0.514
MAT-POS-f7918075-7
0.514
MAT-POS-29385cc1-3
0.514
EDJ-MED-239d8ca5-1
0.514
MAT-POS-c20a539d-1
0.514
EDJ-MED-c5ca5386-2
0.514
EDG-MED-0da5ad92-2
0.508
JAN-GHE-5a013bed-8
0.508
EDG-MED-0da5ad92-12
0.508
EDG-MED-0da5ad92-14
0.508
EDG-MED-0da5ad92-17
0.507
EDJ-MED-076d6e64-1
0.507
MAT-POS-29385cc1-4
0.507
MAT-POS-90fd5f68-37
0.507
MAT-POS-c20a539d-2
0.507
MIC-UNK-668ac5de-1
0.507
MAT-POS-90fd5f68-38
0.507
MIC-UNK-51049f1a-5
0.507
MIC-UNK-f2576da4-1
0.507
PET-UNK-f4e47ebd-1
0.507
PET-UNK-b38839dc-2
0.507
MAT-POS-90fd5f68-41
0.507