Molecule

ID:41583

General Information
Structure
MolImage
Molecular Formula
C₅H₃ClN₂S
Molecular Mass
158.60872
Exact Mass
157.97054679
Charge
0
InChI
InChI=1S/C5H3ClN2S/c6-4-3-8-1-2-9-5(8)7-4/h1-3H
InChIKey
WOZMDYAJHVHPMD-UHFFFAOYSA-N
Canonic Smiles
Clc1cn2c(n1)scc2
Isomeric Smiles
n1c2n(cc1Cl)ccs2
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.6173351
LogD (pH = 7.4)
1.6174709
Log P
1.6174726
Molar Refractivity
49.3785
Polarizability
14.014293
Polar Surface Area
17.3
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
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Molecule Details
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References
Bioactivity
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