Molecule

ID:40955

General Information
Structure
Molecular Formula
C₁₄H₁₀Cl₂OS
Molecular Mass
297.1996
Exact Mass
295.9829413
Charge
0
InChI
InChI=1S/C14H10Cl2OS/c15-11-3-1-10(2-4-11)14(17)9-18-13-7-5-12(16)6-8-13/h1-8H,9H2
InChIKey
HZGLGBYRTBNBHB-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(cc1)SCC(=O)c1ccc(cc1)Cl
Isomeric Smiles
C(=O)(c1ccc(cc1)Cl)CSc1ccc(Cl)cc1
Calculated Properties
JChem
Acid pKa
14.997104
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
4.7304406
LogD (pH = 7.4)
4.7304406
Log P
4.7304406
Molar Refractivity
78.4758
Polarizability
30.433794
Polar Surface Area
17.07
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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