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
ALP-POS-95b75b4d-8
1.000
ALP-POS-95b75b4d-6
0.678
TRY-UNI-714a760b-6
0.667
SAM-UNK-2684b532-12
0.651
ANN-UNI-98d2bf15-3
0.645
JOH-UNI-abfda500-5
0.645
JOH-UNI-abfda500-4
0.645
MAK-UNK-6ca90168-23
0.635
MAT-POS-bb423b95-5
0.625
SAM-UNK-2684b532-11
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
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
EDG-MED-0da5ad92-2
0.548
JAN-GHE-5a013bed-8
0.548
AGN-NEW-c7b24fe3-1
0.537
MIC-UNK-50cce87d-2
0.536
EDG-MED-0da5ad92-16
0.531
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-199e2e7c-1
0.521
MAT-POS-bb423b95-2
0.521
JAN-GHE-5a013bed-9
0.516
MIC-UNK-08cd9c58-1
0.514
MAT-POS-f7918075-3
0.514
EDJ-MED-a364e151-2
0.514
EDJ-MED-a364e151-1
0.514
EDJ-MED-a364e151-3
0.507
MAT-POS-f7918075-7
0.507
MAT-POS-14ad9fe9-1
0.507
SAM-UNK-2684b532-7
0.500
MIC-UNK-50cce87d-1
0.500
AGN-NEW-c7b24fe3-4
0.500
EDG-MED-0da5ad92-17
0.500
MAT-POS-bb423b95-8
0.500
MIC-UNK-50cce87d-3
0.500
JOH-UNI-ee5ed7c8-3
0.493
EDJ-MED-00c1612e-1
0.493
PET-UNK-8df914d1-1
0.493
JOH-UNI-3fc3434e-3
0.493
MAT-POS-f7918075-8
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
EDJ-MED-976da9a6-2
0.487
MIC-UNK-50cce87d-4
0.486
MIC-UNK-d935700b-1
0.486
PET-UNK-8df914d1-4
0.485
EDJ-MED-c8e7a002-16
0.479
VLA-UCB-00f2c2b3-7
0.479
EDG-MED-0da5ad92-12
0.478
MIC-UNK-66895286-1
0.477
JAN-GHE-5a013bed-11
0.477
EDG-MED-0da5ad92-15
0.471
EDJ-MED-976da9a6-1
0.468
EDJ-MED-50fe53e8-2
0.466
MAT-POS-f7918075-6
0.466
ALP-POS-f13221e1-4
0.465
EDG-MED-0da5ad92-18
0.464
ALP-POS-95b75b4d-1
0.464
EDJ-MED-49816e9b-2
0.463
EDG-MED-0da5ad92-13
0.463
JOH-UNI-ee5ed7c8-1
0.462
NAU-LAT-e1818702-10
0.462
JAN-GHE-5a013bed-7
0.462
JOH-UNI-3fc3434e-1
0.462
JOH-UNI-6fede743-1
0.459
MIC-UNK-d935700b-2
0.459
JOH-UNI-6fede743-3
0.458
MAT-POS-bb423b95-6
0.458
ALP-POS-3b848b35-3
0.458
EDJ-MED-49816e9b-3
0.456
MAT-POS-4211dce8-1
0.452
EDJ-MED-e58735b6-1
0.451
ALP-POS-95b75b4d-2
0.449
EDJ-MED-e58735b6-2
0.449
JAN-GHE-83b26c96-13
0.449
JOH-UNI-6fede743-4
0.446
DAR-DIA-0cde14eb-76
0.444
PET-UNK-8df914d1-5
0.444
JAN-GHE-83b26c96-14
0.444
ALP-POS-95b75b4d-3
0.444
JAN-GHE-83b26c96-12
0.443
JAG-UCB-a3ef7265-15
0.441
NAU-LAT-e1818702-7
0.441
JAG-UCB-a3ef7265-17
0.441