Molecule

ID:41053

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₀Cl₂N₂OS
Molecular Mass
301.1916
Exact Mass
299.98908931
Charge
0
InChI
InChI=1S/C12H10Cl2N2OS/c1-16-12(14)10(6-17)11(15-16)7-18-9-4-2-8(13)3-5-9/h2-6H,7H2,1H3
InChIKey
ZHDVNQUXXBDRBD-UHFFFAOYSA-N
Canonic Smiles
O=Cc1c(CSc2ccc(cc2)Cl)nn(c1Cl)C
Isomeric Smiles
c1(c(n(nc1CSc1ccc(Cl)cc1)C)Cl)C=O
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.1595333
LogD (pH = 7.4)
3.1595364
Log P
3.1595364
Molar Refractivity
88.153
Polarizability
29.109615
Polar Surface Area
34.89
Rotatable Bonds
4
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