Molecule

ID:7861

General Information
Structure
MolImage
Molecular Formula
C₇H₂Cl₃NS
Molecular Mass
238.52148
Exact Mass
236.89735311
Charge
0
InChI
InChI=1S/C7H2Cl3NS/c8-4-1-2-5(11-3-12)7(10)6(4)9/h1-2H
InChIKey
NUAGIDXAYVLNEG-UHFFFAOYSA-N
Canonic Smiles
S=C=Nc1ccc(c(c1Cl)Cl)Cl
Isomeric Smiles
c1c(c(c(c(c1)N=C=S)Cl)Cl)Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
4.8072047
LogD (pH = 7.4)
4.807205
Log P
4.807205
Molar Refractivity
57.5353
Polarizability
21.776543
Polar Surface Area
12.36
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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