Molecule Details
| Molecular Properties | |
| SMILES: | O=C(Cc1cccc(Cl)c1)Nc1cnccn1 |
| MW: | 247.05 |
| Fraction sp3: | 0.08 |
| HBA: | 3 |
| HBD: | 1 |
| Rotatable Bonds: | 3 |
| TPSA: | 54.88 |
| cLogP: | 2.31 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
| Source | |
| Enamine REAL: | Z1696955513 |
| Enamine Extended REAL: | s_11____158040____3020516 |
| Mcule: | MCULE-2075621746 |
| Mcule Ultimate: | DZGGQOBILZZEJW-UHFFFAOYSA-N |
| MolPort: | MolPort-047-552-788 |
| Order Status | |
| Ordered: | 2020-05-17 |
| Synthesis Location: | enamine |
| Shipped: | 2020-06-16 |
ALE-HEI-f28a35b5-9
EDG-MED-0da5ad92-2
0.567
ALP-POS-95b75b4d-6
0.565
ALP-POS-95b75b4d-8
0.548
SAM-UNK-2684b532-13
0.548
JOH-UNI-abfda500-5
0.538
ANN-UNI-98d2bf15-3
0.538
JAN-GHE-5a013bed-9
0.533
TRY-UNI-714a760b-6
0.531
JOH-UNI-abfda500-4
0.515
JAN-GHE-5a013bed-6
0.508
PET-UNK-158bee2a-2
0.508
JAN-GHE-5a013bed-10
0.508
MAK-UNK-6ca90168-23
0.507
MAT-POS-bb423b95-1
0.507
EDG-MED-0da5ad92-13
0.500
PET-UNK-8df914d1-4
0.500
RUB-POS-1325a9ea-19
0.500
MAT-POS-bb423b95-5
0.500
EDJ-MED-49816e9b-2
0.500
SAM-UNK-2684b532-11
0.500
JIN-POS-6dc588a4-4
0.500
JIN-POS-6dc588a4-3
0.500
SAM-UNK-2684b532-12
0.500
ABI-SAT-4d06482b-2
0.500
PET-UNK-158bee2a-3
0.500
MAT-POS-f7918075-5
0.493
EDJ-MED-6e43a462-5
0.493
JIN-POS-6dc588a4-10
0.493
EDJ-MED-c8e7a002-16
0.493
ALP-POS-95b75b4d-7
0.493
EDG-MED-0da5ad92-14
0.492
EDG-MED-0da5ad92-12
0.492
JAN-GHE-5a013bed-11
0.492
MIC-UNK-66895286-1
0.492
PET-UNK-158bee2a-4
0.492
MAT-POS-bb423b95-4
0.486
ALP-POS-95b75b4d-5
0.486
PET-UNK-8df914d1-3
0.485
EDG-MED-0da5ad92-15
0.485
JIN-POS-6dc588a4-6
0.479
MAT-POS-bb423b95-3
0.479
ALP-POS-0c2c77e1-1
0.479
JIN-POS-6dc588a4-17
0.479
JIN-POS-6dc588a4-22
0.479
EDG-MED-0da5ad92-18
0.478
EDG-MED-0da5ad92-16
0.477
EDG-MED-0da5ad92-21
0.477
JAN-GHE-5a013bed-7
0.476
NAU-LAT-e1818702-10
0.476
EDJ-MED-6e43a462-4
0.472
MAT-POS-bb423b95-2
0.472
EDJ-MED-6e43a462-6
0.472
JIN-POS-6dc588a4-16
0.472
EDJ-MED-b24713dc-2
0.471
EDG-MED-0da5ad92-17
0.471
TRY-UNI-714a760b-3
0.471
AGN-NEW-c7b24fe3-4
0.471
AGN-NEW-c7b24fe3-5
0.471
EDJ-MED-49816e9b-3
0.470
RUB-POS-1325a9ea-8
0.466
MAT-POS-f7918075-3
0.466
MIC-UNK-08cd9c58-1
0.466
JIN-POS-6dc588a4-2
0.465
AGN-NEW-c7b24fe3-1
0.464
VLA-UNK-411a133b-2
0.462
MAT-POS-14ad9fe9-1
0.461
EDJ-MED-6e43a462-7
0.458
BEN-DND-02317c5c-9
0.458
EDJ-MED-50fe53e8-4
0.458
PET-UNK-8df914d1-5
0.457
JAG-UCB-a3ef7265-15
0.455
NAU-LAT-e1818702-7
0.455
JAG-UCB-a3ef7265-17
0.455
VLA-UNK-411a133b-1
0.455
MAT-POS-199e2e7c-1
0.452
RUB-POS-1325a9ea-11
0.452
PET-UNK-b1ef24dc-4
0.452
MAT-POS-199e2e7c-2
0.452
ADA-UCB-6c2cb422-1
0.451
ALP-POS-3b848b35-3
0.451
EDG-MED-0da5ad92-1
0.449
JAN-GHE-83b26c96-15
0.449
VLA-UNK-4cf5aa07-1
0.449
PET-UNK-158bee2a-1
0.449
EDJ-MED-49816e9b-5
0.448
PET-UNK-8df914d1-1
0.447
EDJ-MED-00c1612e-1
0.447
MAT-POS-f7918075-8
0.446
EDJ-MED-a364e151-2
0.446
MAT-POS-f7918075-4
0.446
MIC-UNK-8971c93c-1
0.446
EDJ-MED-a364e151-1
0.446
EDJ-MED-c8e7a002-15
0.446
JIN-POS-6dc588a4-23
0.446
RUB-POS-1325a9ea-15
0.446
EDJ-MED-6ab52e52-1
0.444
RUB-POS-1325a9ea-17
0.444
MIC-UNK-51049f1a-6
0.444
MIC-UNK-50cce87d-2
0.444
PET-UNK-8df914d1-2
0.444