Molecule

ID:83673

General Information
Structure
MolImage
Molecular Formula
C₇H₄ClNS
Molecular Mass
169.63136
Exact Mass
168.97529781
Charge
0
InChI
InChI=1S/C7H4ClNS/c8-7-5-3-1-2-4-6(5)10-9-7/h1-4H
InChIKey
BCPVKLRBQLRWDQ-UHFFFAOYSA-N
Canonic Smiles
Clc1nsc2c1cccc2
Isomeric Smiles
n1c(c2c(cccc2)s1)Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.8626635
LogD (pH = 7.4)
2.862664
Log P
2.862664
Molar Refractivity
44.0994
Polarizability
17.584244
Polar Surface Area
12.89
Rotatable Bonds
0
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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