Molecule

ID:76244

General Information
Structure
Molecular Formula
C₁₀H₁₂ClNS
Molecular Mass
213.72698
Exact Mass
213.03789807
Charge
0
InChI
InChI=1S/C10H12ClNS/c11-9-4-2-1-3-8(9)10-7-13-6-5-12-10/h1-4,10,12H,5-7H2
InChIKey
UXSQOKXSAKGEKA-UHFFFAOYSA-N
Canonic Smiles
Clc1ccccc1C1CSCCN1
Isomeric Smiles
N1C(c2c(cccc2)Cl)CSCC1
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
0.112142466
LogD (pH = 7.4)
1.8456243
Log P
2.556565
Molar Refractivity
59.1411
Polarizability
23.414854
Polar Surface Area
12.03
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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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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