Molecule

ID:26861

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₁ClN₂OS
Molecular Mass
266.74654
Exact Mass
266.02806166
Charge
0
InChI
InChI=1S/C12H11ClN2OS/c1-8-2-4-9(5-3-8)10-7-17-12(14-10)15-11(16)6-13/h2-5,7H,6H2,1H3,(H,14,15,16)
InChIKey
OVZLZSDKRSUJAB-UHFFFAOYSA-N
Canonic Smiles
ClCC(=O)Nc1scc(n1)c1ccc(cc1)C
Isomeric Smiles
c1(nc(cs1)c1ccc(cc1)C)NC(=O)CCl
Calculated Properties
JChem
Acid pKa
10.591887
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
3.6378365
LogD (pH = 7.4)
3.6375747
Log P
3.6378398
Molar Refractivity
70.1613
Polarizability
27.526197
Polar Surface Area
41.99
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
暂无数据
点击上传数据
References
Bioactivity
Navigation