Molecular Properties | |
SMILES: | O=C(CCn1cnc2ccccc2c1=O)Nc1cccnc1Cl |
MW: | 328.07 |
Fraction sp3: | 0.12 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 76.88 |
cLogP: | 2.47 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-9882118298 |
MolPort: | MolPort-002-672-320 |
2-halo pyridine
α-Halogen substituted N-heterocycles
Filter82_pyridinium
Filter94_2_halo_pyridine
2-chloropyridine
2-halopyridine
halo-pyridine,_-diazoles_and_-triazoles
MAR-TRE-3e4e6814-61
0.603
MAR-TRE-67513f76-54
0.512
MAR-TRE-4b834d9a-97
0.488
AAR-POS-0daf6b7e-20
0.435
TAT-ENA-80bfd3e5-19
0.432
MAR-TRE-0fda4e82-58
0.429
MAR-TRE-4b834d9a-29
0.424
MAK-UNK-a7b37c5e-3
0.408
MAR-TRE-7f7bb9f0-55
0.380
MAR-TRE-7f7bb9f0-23
0.378
MAR-TRE-4b834d9a-1
0.376
MAR-TRE-9c797165-95
0.371
MAR-TRE-7f7bb9f0-42
0.371
SID-ELM-8b394441-4
0.366
MAR-TRE-67513f76-71
0.359
SID-ELM-8b394441-3
0.359
MAR-TRE-d0525fbf-83
0.357
MAR-TRE-7f7bb9f0-48
0.356
MAR-TRE-9c797165-87
0.354
MAR-TRE-f6f5f473-30
0.354
MAR-TRE-74c6519b-44
0.354
MAR-TRE-fd17a9b8-41
0.353
MAR-TRE-9c797165-49
0.353
MAR-TRE-9c797165-76
0.352
MAR-TRE-d0525fbf-93
0.351
MAR-TRE-9c797165-96
0.349
MAR-TRE-3e4e6814-95
0.347
AGN-NEW-cce853d0-1
0.344
MAR-TRE-9c797165-42
0.340
MAR-TRE-9c797165-27
0.333
AGN-NEW-cce853d0-3
0.330
JAN-GHE-5a013bed-3
0.326
MAR-TRE-7f7bb9f0-61
0.326
MAR-TRE-3e4e6814-63
0.319
MAT-POS-06036648-7
0.307
JAN-GHE-f4ca5a00-8
0.299
MAR-TRE-2fd8122f-100
0.298
JAN-GHE-f4ca5a00-5
0.298
JAN-GHE-f4ca5a00-10
0.297
JAN-GHE-74b8b0cb-1
0.296
MAR-TRE-4b834d9a-55
0.296
MAR-TRE-4b834d9a-95
0.296
MAR-TRE-e86a56b5-29
0.295
BEN-DND-02317c5c-11
0.293
JIN-POS-6dc588a4-1
0.293
BEN-DND-61647d40-13
0.293
KEI-TRE-d5e2018a-68
0.292
KRI-MAR-d2e3ef86-19
0.286
UNK-UNK-2ede4078-25
0.286
JAN-GHE-f4ca5a00-2
0.283
MAR-TRE-04c86cea-68
0.277
MAR-TRE-3e4e6814-55
0.277
BAR-COM-0f94fc3d-57
0.276
MAR-TRE-3e4e6814-100
0.273
MAR-TRE-fd17a9b8-67
0.273
MAR-TRE-f6f5f473-35
0.272
JIN-POS-6dc588a4-21
0.271
AAR-UNI-c25c2f1e-55
0.270
MAR-TRE-04c86cea-69
0.269
MAR-TRE-f6f5f473-18
0.268
MAR-TRE-74c6519b-78
0.267
JAN-GHE-74b8b0cb-2
0.267
KRI-MAR-d2e3ef86-16
0.267
MAR-TRE-f6f5f473-27
0.267
MAR-TRE-3e4e6814-5
0.265
MAR-TRE-4b834d9a-33
0.265
MAR-TRE-3e4e6814-65
0.263
MAR-TRE-3e4e6814-31
0.260
MAR-TRE-4b834d9a-5
0.259
MAR-TRE-7f7bb9f0-96
0.257
SIM-DEM-2843056b-7
0.257
MAT-POS-af71705c-1
0.255
BAR-COM-0f94fc3d-27
0.255
MAR-TRE-4b834d9a-99
0.255
UNK-UNK-2ede4078-62
0.255
MAR-TRE-74c6519b-95
0.255
MAR-TRE-3e4e6814-14
0.255
SIM-DEM-2843056b-1
0.255
SIM-DEM-2843056b-6
0.255
MAR-TRE-4b834d9a-22
0.255
MAR-TRE-b77b7921-43
0.255
MAR-TRE-3e4e6814-81
0.253
GAB-REV-70cc3ca5-4
0.253
MAR-TRE-67513f76-30
0.253
LON-WEI-5e7d1b3e-21
0.252
LON-WEI-4d77710c-21
0.252
MAR-TRE-f6f5f473-66
0.252
MAR-TRE-4b834d9a-93
0.252
EDJ-MED-ee07cf00-3
0.252
DAR-DIA-ecdbc7dd-6
0.252
JIN-POS-6dc588a4-7
0.250
MAT-POS-3b92565d-7
0.250
MAT-POS-4211dce8-1
0.250
MAR-TRE-04c86cea-74
0.250
DUN-NEW-f8ce3686-6
0.250
AGN-NEW-cce853d0-2
0.250
BAR-COM-0f94fc3d-31
0.250
MAR-TRE-d0525fbf-11
0.250
MAR-TRE-7f7bb9f0-85
0.250
MAR-TRE-d0525fbf-43
0.250