Molecule

ID:56799

General Information
Structure
MolImage
Molecular Formula
C₉H₃Cl₃OS
Molecular Mass
265.54352
Exact Mass
263.89701876
Charge
0
InChI
InChI=1S/C9H3Cl3OS/c10-4-1-2-5-6(3-4)14-8(7(5)11)9(12)13/h1-3H
InChIKey
JCTLRFNZVZCAHR-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc2c(c1)sc(c2Cl)C(=O)Cl
Isomeric Smiles
c1(sc2c(c1Cl)ccc(c2)Cl)C(=O)Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
4.380712
LogD (pH = 7.4)
4.380712
Log P
4.380712
Molar Refractivity
59.9065
Polarizability
24.123707
Polar Surface Area
17.07
Rotatable Bonds
1
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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