Molecule

ID:63842

General Information
Structure
MolImage
Molecular Formula
C₇H₄ClNS
Molecular Mass
169.63136
Exact Mass
168.97529781
Charge
0
InChI
InChI=1S/C7H4ClNS/c8-5-1-3-9-6-2-4-10-7(5)6/h1-4H
InChIKey
GYQUXKQLCNFKQT-UHFFFAOYSA-N
Canonic Smiles
Clc1ccnc2c1scc2
Isomeric Smiles
c12sccc1nccc2Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.6210573
LogD (pH = 7.4)
2.6214876
Log P
2.621493
Molar Refractivity
41.674
Polarizability
17.487299
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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