Molecule

ID:26952

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₀ClNS
Molecular Mass
223.7218
Exact Mass
223.02224801
Charge
0
InChI
InChI=1S/C11H10ClNS/c1-8-2-4-9(5-3-8)11-13-10(6-12)7-14-11/h2-5,7H,6H2,1H3
InChIKey
MOMKYJPSVWEWPM-UHFFFAOYSA-N
Canonic Smiles
ClCc1csc(n1)c1ccc(cc1)C
Isomeric Smiles
n1c(scc1CCl)c1ccc(cc1)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.8388283
LogD (pH = 7.4)
3.8389428
Log P
3.8389442
Molar Refractivity
70.7539
Polarizability
23.793278
Polar Surface Area
12.89
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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