Molecular Properties | |
SMILES: | C#Cc1ncccc1NC(=O)Cc1cccc(Cl)c1 |
MW: | 270.719 |
Fraction sp3: | 0.07 |
HBA: | 2 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 41.99 |
cLogP: | 2.8975 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Order Status | |
Ordered: | 2020-06-10 |
Synthesis Location: | wuxi |
Shipped: | 2020-07-21 |
triple bond
triple_bond
AAR-POS-d2a4d1df-11
AGN-NEW-c7b24fe3-4
0.738
AGN-NEW-c7b24fe3-6
0.698
EDG-MED-0da5ad92-14
0.609
AGN-NEW-c7b24fe3-1
0.574
MAT-POS-bb423b95-2
0.534
ALP-POS-95b75b4d-8
0.522
SAM-UNK-2684b532-13
0.522
AGN-NEW-c7b24fe3-3
0.507
JOH-UNI-abfda500-5
0.493
ANN-UNI-98d2bf15-3
0.493
ALP-POS-95b75b4d-6
0.493
MIC-UNK-08cd9c58-1
0.487
MAT-POS-f7918075-3
0.487
MAK-UNK-6ca90168-23
0.486
TRY-UNI-714a760b-6
0.486
JAN-GHE-5a013bed-10
0.485
ABI-SAT-4d06482b-2
0.479
EDG-MED-0da5ad92-16
0.478
EDG-MED-0da5ad92-21
0.478
JIN-POS-6dc588a4-15
0.474
JIN-POS-6dc588a4-10
0.474
JIN-POS-6dc588a4-24
0.474
EDG-MED-0da5ad92-17
0.472
JOH-UNI-abfda500-4
0.472
JAN-GHE-5a013bed-8
0.471
EDG-MED-0da5ad92-2
0.471
JAN-GHE-5a013bed-11
0.471
PET-UNK-158bee2a-4
0.471
RUB-POS-1325a9ea-8
0.468
MAT-POS-bb423b95-1
0.467
MIC-UNK-50cce87d-2
0.467
EDJ-MED-6ab52e52-1
0.467
PET-UNK-8df914d1-3
0.465
PET-UNK-158bee2a-2
0.463
EDJ-MED-c8e7a002-14
0.461
PET-UNK-b1ef24dc-2
0.461
JIN-POS-6dc588a4-4
0.459
MAT-POS-bb423b95-5
0.459
SAM-UNK-2684b532-12
0.459
JIN-POS-6dc588a4-3
0.459
SAM-UNK-2684b532-11
0.459
RUB-POS-1325a9ea-19
0.459
EDJ-MED-49816e9b-2
0.457
EDG-MED-0da5ad92-13
0.457
JOH-UNI-3fc3434e-1
0.457
JOH-UNI-ee5ed7c8-1
0.457
NAU-LAT-e1818702-10
0.456
JAN-GHE-5a013bed-7
0.456
JOH-UNI-6fede743-1
0.455
MAT-POS-f7918075-5
0.455
JIN-POS-6dc588a4-14
0.455
MAT-POS-bb423b95-8
0.455
ADA-UCB-6c2cb422-1
0.453
VLA-UCB-00f2c2b3-7
0.453
ALP-POS-95b75b4d-7
0.453
TRY-UNI-714a760b-3
0.452
MAT-POS-bb423b95-4
0.447
MAT-POS-bb423b95-9
0.447
ALP-POS-95b75b4d-5
0.447
EDJ-MED-c8e7a002-12
0.447
RUB-POS-1325a9ea-17
0.447
MIC-UNK-51049f1a-6
0.447
JIN-POS-6dc588a4-2
0.447
MAT-POS-bb423b95-3
0.442
RUB-POS-1325a9ea-13
0.442
PET-UNK-b1ef24dc-1
0.442
PET-UNK-e274cad4-6
0.442
JIN-POS-6dc588a4-6
0.442
RUB-POS-1325a9ea-12
0.442
ALP-POS-0c2c77e1-1
0.442
JAN-GHE-5a013bed-9
0.441
JAN-GHE-5a013bed-6
0.441
MIC-UNK-d935700b-1
0.440
EDG-MED-0da5ad92-18
0.438
PET-UNK-6314f867-3
0.438
MIC-UNK-668ac5de-1
0.438
MAT-POS-90fd5f68-37
0.438
RUB-POS-1325a9ea-2
0.436
MIC-UNK-50cce87d-1
0.436
RUB-POS-1325a9ea-11
0.436
EDJ-MED-076d6e64-1
0.436
RUB-POS-1325a9ea-3
0.436
EDJ-MED-c5ca5386-1
0.436
MIC-UNK-50cce87d-3
0.436
MAT-POS-bb423b95-6
0.434
JIN-POS-6dc588a4-19
0.434
JOH-UNI-6fede743-3
0.434
JOH-UNI-3fc3434e-3
0.432
JOH-UNI-ee5ed7c8-3
0.432
JIN-POS-6dc588a4-11
0.430
MIC-UNK-8971c93c-1
0.430
MAT-POS-f7918075-4
0.430
MAT-POS-f7918075-8
0.430
JIN-POS-6dc588a4-23
0.430
MIC-UNK-7574fcc6-1
0.430
MAT-POS-4211dce8-1
0.429
MIC-UNK-66895286-1
0.429
JIN-POS-6dc588a4-9
0.429
MAT-POS-14ad9fe9-1
0.427
EDJ-MED-c5ca5386-2
0.427