Molecule

ID:113804

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₀ClNS
Molecular Mass
211.7111
Exact Mass
211.02224801
Charge
0
InChI
InChI=1S/C10H10ClNS/c1-6(2)7-3-4-8-9(5-7)13-10(11)12-8/h3-6H,1-2H3
InChIKey
PKSULTRTWYRDMU-UHFFFAOYSA-N
Canonic Smiles
Clc1nc2c(s1)cc(cc2)C(C)C
Isomeric Smiles
n1c(sc2c1ccc(c2)C(C)C)Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
4.2724924
LogD (pH = 7.4)
4.2724953
Log P
4.2724953
Molar Refractivity
56.3454
Polarizability
23.047768
Polar Surface Area
12.89
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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