Molecule

ID:53983

General Information
Structure
MolImage
Molecular Formula
C₈H₅ClN₂S
Molecular Mass
196.6567
Exact Mass
195.98619685
Charge
0
InChI
InChI=1S/C8H5ClN2S/c9-8-10-7(11-12-8)6-4-2-1-3-5-6/h1-5H
InChIKey
FJDVOZDQWUMILL-UHFFFAOYSA-N
Canonic Smiles
Clc1snc(n1)c1ccccc1
Isomeric Smiles
c1(c2ccccc2)nsc(n1)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.4548767
LogD (pH = 7.4)
3.4548776
Log P
3.4548776
Molar Refractivity
61.5167
Polarizability
19.534645
Polar Surface Area
25.78
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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