Molecule

ID:86287

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₄ClNS
Molecular Mass
251.77496
Exact Mass
251.05354813
Charge
0
InChI
InChI=1S/C13H14ClNS/c14-13-5-3-12(4-6-13)11-16-10-9-15-7-1-2-8-15/h1-8H,9-11H2
InChIKey
HAGBFNSRJWHLEP-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(cc1)CSCCn1cccc1
Isomeric Smiles
n1(cccc1)CCSCc1ccc(cc1)Cl
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
4.293915
LogD (pH = 7.4)
4.293915
Log P
4.293915
Molar Refractivity
72.306
Polarizability
27.998371
Polar Surface Area
4.93
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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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