Molecule

ID:34660

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₀ClNS
Molecular Mass
235.7325
Exact Mass
235.02224801
Charge
0
InChI
InChI=1S/C12H10ClNS/c13-9-5-7-10(8-6-9)15-12-4-2-1-3-11(12)14/h1-8H,14H2
InChIKey
JZLUOCTZACJYNR-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(cc1)Sc1ccccc1N
Isomeric Smiles
S(c1c(N)cccc1)c1ccc(Cl)cc1
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
3.935519
LogD (pH = 7.4)
3.937094
Log P
3.937114
Molar Refractivity
68.2473
Polarizability
25.962221
Polar Surface Area
26.02
Rotatable Bonds
2
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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