Molecule Details
| Molecular Properties | |
| SMILES: | O=C(Cc1cccc(Cl)c1)Nc1cnccc1Cl |
| MW: | 281.142 |
| Fraction sp3: | 0.08 |
| HBA: | 2 |
| HBD: | 1 |
| Rotatable Bonds: | 3 |
| TPSA: | 41.99 |
| cLogP: | 3.5696 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
| Source | |
| Mcule Ultimate: | YTHOQSISNCBJPD-UHFFFAOYSA-N |
4-halopyridine
AAR-POS-d2a4d1df-1
SAM-UNK-2684b532-13
1.000
ALP-POS-95b75b4d-6
0.678
TRY-UNI-714a760b-6
0.667
JIN-POS-6dc588a4-4
0.651
SAM-UNK-2684b532-12
0.651
JOH-UNI-abfda500-5
0.645
ANN-UNI-98d2bf15-3
0.645
JOH-UNI-abfda500-4
0.645
MAK-UNK-6ca90168-23
0.635
SAM-UNK-2684b532-11
0.625
RUB-POS-1325a9ea-19
0.625
MAT-POS-bb423b95-5
0.625
JIN-POS-6dc588a4-3
0.625
JAN-GHE-5a013bed-10
0.617
ALP-POS-95b75b4d-7
0.615
ALP-POS-95b75b4d-5
0.606
MAT-POS-bb423b95-4
0.606
JIN-POS-6dc588a4-6
0.597
ALP-POS-0c2c77e1-1
0.597
MAT-POS-bb423b95-3
0.597
MAT-POS-bb423b95-1
0.582
MAT-POS-bb423b95-9
0.582
TRY-UNI-714a760b-3
0.569
MAT-POS-f7918075-5
0.565
PET-UNK-8df914d1-3
0.562
EDG-MED-0da5ad92-21
0.556
ABI-SAT-4d06482b-2
0.554
JIN-POS-6dc588a4-22
0.551
JAN-GHE-5a013bed-8
0.548
EDG-MED-0da5ad92-2
0.548
AGN-NEW-c7b24fe3-1
0.537
EDJ-MED-6ab52e52-1
0.536
MIC-UNK-50cce87d-2
0.536
EDG-MED-0da5ad92-16
0.531
PET-UNK-e274cad4-6
0.529
JIN-POS-6dc588a4-13
0.529
PET-UNK-7f7e354d-7
0.529
CHR-SOS-7098f804-21
0.524
EDG-MED-0da5ad92-14
0.523
AGN-NEW-c7b24fe3-5
0.522
ADA-UCB-6c2cb422-1
0.522
MAT-POS-bb423b95-2
0.521
PET-UNK-b1ef24dc-4
0.521
EDJ-MED-c5ca5386-1
0.521
MAT-POS-199e2e7c-1
0.521
JIN-POS-6dc588a4-10
0.521
RUB-POS-1325a9ea-5
0.521
JAN-GHE-5a013bed-9
0.516
JIN-POS-6dc588a4-23
0.514
MAT-POS-f7918075-3
0.514
MIC-UNK-08cd9c58-1
0.514
EDJ-MED-a364e151-2
0.514
RUB-POS-1325a9ea-8
0.514
EDJ-MED-a364e151-1
0.514
PET-UNK-b1ef24dc-1
0.507
EDJ-MED-a364e151-3
0.507
PET-UNK-b1ef24dc-2
0.507
RUB-POS-1325a9ea-13
0.507
RUB-POS-1325a9ea-12
0.507
RUB-POS-1325a9ea-1
0.507
JIN-POS-6dc588a4-18
0.507
MAT-POS-f7918075-7
0.507
MAT-POS-14ad9fe9-1
0.507
EDJ-MED-c5ca5386-2
0.507
JIN-POS-6dc588a4-20
0.507
EDG-MED-0da5ad92-17
0.500
MIC-UNK-50cce87d-1
0.500
RUB-POS-1325a9ea-2
0.500
RUB-POS-1325a9ea-3
0.500
MIC-UNK-50cce87d-3
0.500
SAM-UNK-2684b532-7
0.500
AGN-NEW-c7b24fe3-4
0.500
JIN-POS-6dc588a4-12
0.500
MAT-POS-bb423b95-8
0.500
JIN-POS-6dc588a4-14
0.500
RUB-POS-1325a9ea-11
0.500
EDJ-MED-076d6e64-1
0.500
PET-UNK-b1ef24dc-3
0.500
JOH-UNI-ee5ed7c8-3
0.493
EDJ-MED-00c1612e-1
0.493
JOH-UNI-3fc3434e-3
0.493
PET-UNK-8df914d1-1
0.493
MIC-UNK-7574fcc6-1
0.493
MAT-POS-f7918075-8
0.493
RUB-POS-1325a9ea-15
0.493
JIN-POS-6dc588a4-11
0.493
MIC-UNK-8971c93c-1
0.493
MAT-POS-f7918075-4
0.493
EDJ-MED-c8e7a002-12
0.493
EDG-MED-0da5ad92-6
0.493
JAN-GHE-5a013bed-6
0.492
PET-UNK-158bee2a-2
0.492
MAT-POS-90fd5f68-4
0.487
MAT-POS-90fd5f68-22
0.487
MAT-POS-c20a539d-1
0.487
EDJ-MED-976da9a6-2
0.487
PET-UNK-e274cad4-1
0.486
MAT-POS-90fd5f68-40
0.486
RUB-POS-1325a9ea-4
0.486
RUB-POS-1325a9ea-14
0.486