Molecular Properties | |
SMILES: | O=C(Cc1cccc(Cl)c1)Nc1c(Cl)ncn2nnnc12 |
MW: | 322.01 |
Fraction sp3: | 0.08 |
HBA: | 6 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 85.07 |
cLogP: | 2.01 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Order Status | |
Ordered: | 2020-09-29 |
Synthesis Location: | enamine |
Shipped: | synthesis in progress |
α-Halogen substituted N-heterocycles
4-halopyridine
2-halopyridine
halo-pyridine,_-diazoles_and_-triazoles
JAG-UCB-52b62a6f-1
EDJ-MED-97c1bf5c-2
0.699
EDJ-MED-c8e7a002-7
0.573
EDJ-MED-c8e7a002-17
0.573
VLA-UNK-411a133b-2
0.507
EDG-MED-0da5ad92-18
0.480
EDJ-MED-49816e9b-2
0.459
VLA-UNK-411a133b-1
0.459
EDJ-MED-49816e9b-5
0.453
JAG-UCB-52b62a6f-3
0.451
EDJ-MED-c8e7a002-4
0.446
JAG-UCB-a3ef7265-17
0.440
NAU-LAT-e1818702-7
0.440
EDJ-MED-7bb79bc5-1
0.437
EDJ-MED-97c1bf5c-1
0.437
JAN-GHE-5a013bed-11
0.432
JAN-GHE-5a013bed-8
0.432
NAU-LAT-e1818702-9
0.427
SAM-UNK-2684b532-11
0.425
JAG-UCB-a3ef7265-15
0.421
EDG-MED-0da5ad92-13
0.421
PET-UNK-8df914d1-4
0.421
NAU-LAT-e1818702-10
0.419
JAN-GHE-5a013bed-7
0.419
ANN-UNI-98d2bf15-3
0.418
JOH-UNI-abfda500-5
0.418
JOH-UNI-6fede743-2
0.417
EDJ-MED-49816e9b-3
0.416
EDG-MED-0da5ad92-14
0.416
EDJ-MED-50fe53e8-3
0.415
EDG-MED-0da5ad92-2
0.413
PET-UNK-158bee2a-4
0.413
JAN-GHE-f4ca5a00-12
0.412
NAU-LAT-e1818702-1
0.412
EDG-MED-0da5ad92-15
0.410
NAU-LAT-e1818702-8
0.410
JOH-UNI-6fede743-4
0.410
JOH-UNI-3fc3434e-11
0.409
JOH-UNI-ee5ed7c8-11
0.409
JAN-GHE-5a013bed-10
0.408
JAN-GHE-5a013bed-1
0.408
PET-UNK-8df914d1-5
0.407
JAN-GHE-5a013bed-6
0.405
JAN-GHE-5a013bed-9
0.405
PET-UNK-158bee2a-2
0.405
ABI-SAT-4d06482b-2
0.405
JIN-POS-6dc588a4-21
0.405
RUB-POS-1325a9ea-18
0.405
EDJ-MED-076d6e64-1
0.405
EDJ-MED-6e43a462-6
0.405
JAN-GHE-5a013bed-5
0.403
SAM-UNK-2684b532-13
0.403
ALP-POS-95b75b4d-8
0.403
ALP-POS-95b75b4d-7
0.402
EDJ-MED-b24713dc-2
0.402
EDJ-MED-c8e7a002-11
0.402
NAU-LAT-a5c7d7cb-10
0.402
BEN-DND-02317c5c-8
0.402
PET-UNK-e44ffd04-1
0.402
NAU-LAT-a5c7d7cb-12
0.402
JOH-UNI-6fede743-5
0.402
RUB-POS-1325a9ea-8
0.400
AGN-NEW-c7b24fe3-5
0.400
AGN-NEW-c7b24fe3-4
0.400
EDG-MED-0da5ad92-17
0.400
PET-UNK-8df914d1-2
0.398
BEN-DND-1e24cf73-1
0.398
ALP-POS-95b75b4d-6
0.397
JOH-UNI-3fc3434e-8
0.395
JOH-UNI-ee5ed7c8-8
0.395
EDJ-MED-6e43a462-11
0.395
AGN-NEW-c7b24fe3-1
0.395
MIC-UNK-66895286-1
0.395
JIN-POS-6dc588a4-17
0.393
EDJ-MED-6e43a462-7
0.393
BEN-DND-1e24cf73-3
0.393
TRY-UNI-714a760b-6
0.392
EDJ-MED-c8e7a002-6
0.391
MAT-POS-bb423b95-5
0.390
EDJ-MED-6e43a462-5
0.388
VLA-UCB-00f2c2b3-7
0.386
EDG-MED-0da5ad92-16
0.385
EDG-MED-0da5ad92-21
0.385
PET-UNK-158bee2a-3
0.385
EDJ-MED-6e43a462-10
0.384
JIN-POS-6dc588a4-23
0.384
EDJ-MED-6e43a462-3
0.384
TRY-UNI-714a760b-3
0.383
JOH-UNI-abfda500-4
0.383
MAT-POS-bb423b95-4
0.381
ALP-POS-95b75b4d-5
0.381
JIN-POS-6dc588a4-7
0.381
JIN-POS-6dc588a4-9
0.381
EDJ-MED-6e43a462-9
0.381
EDG-MED-0da5ad92-12
0.380
EDJ-MED-b24713dc-4
0.379
MAK-UNK-6ca90168-23
0.378
VLA-UNK-4cf5aa07-2
0.378
BEN-DND-1e24cf73-6
0.378
EDJ-MED-50fe53e8-4
0.376
BEN-DND-02317c5c-9
0.376