Molecule

ID:58069

General Information
Structure
MolImage
Molecular Formula
C₇H₈ClNS
Molecular Mass
173.66312
Exact Mass
173.00659794
Charge
0
InChI
InChI=1S/C7H8ClNS/c1-10-5-6-2-3-7(8)9-4-6/h2-4H,5H2,1H3
InChIKey
BAADUTXORNOKIP-UHFFFAOYSA-N
Canonic Smiles
CSCc1ccc(nc1)Cl
Isomeric Smiles
n1c(Cl)ccc(c1)CSC
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.4508145
LogD (pH = 7.4)
2.450824
Log P
2.450824
Molar Refractivity
47.2627
Polarizability
18.098373
Polar Surface Area
12.89
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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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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