Molecule

ID:113809

General Information
Structure
MolImage
Molecular Formula
C₇H₂Cl₃NS
Molecular Mass
238.52148
Exact Mass
236.89735311
Charge
0
InChI
InChI=1S/C7H2Cl3NS/c8-3-1-4(9)6-5(2-3)12-7(10)11-6/h1-2H
InChIKey
VTCQHPHTMWSXKQ-UHFFFAOYSA-N
Canonic Smiles
Clc1cc(Cl)c2c(c1)sc(n2)Cl
Isomeric Smiles
n1c2c(sc1Cl)cc(cc2Cl)Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
4.235575
LogD (pH = 7.4)
4.2355757
Log P
4.2355757
Molar Refractivity
51.7642
Polarizability
21.460482
Polar Surface Area
12.89
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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