Molecule

ID:22367

General Information
Structure
Molecular Formula
C₇H₄ClNS
Molecular Mass
169.63136
Exact Mass
168.97529781
Charge
0
InChI
InChI=1S/C7H4ClNS/c8-7-5-2-4-10-6(5)1-3-9-7/h1-4H
InChIKey
VFPFMOXMHVQFNR-UHFFFAOYSA-N
Canonic Smiles
Clc1nccc2c1ccs2
Isomeric Smiles
c1(c2c(ccn1)scc2)Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.4558182
LogD (pH = 7.4)
2.45582
Log P
2.45582
Molar Refractivity
43.1073
Polarizability
17.53584
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
References
Bioactivity
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