Molecule

ID:116056

General Information
Structure
MolImage
Molecular Formula
C₉H₁₀ClNOS
Molecular Mass
215.6998
Exact Mass
215.01716263
Charge
0
InChI
InChI=1S/C9H10ClNOS/c10-5-9(12)11-3-1-8-7(6-11)2-4-13-8/h2,4H,1,3,5-6H2
InChIKey
QSRTWFRGDFZQPO-UHFFFAOYSA-N
Canonic Smiles
ClCC(=O)N1CCc2c(C1)ccs2
Isomeric Smiles
N1(Cc2c(scc2)CC1)C(=O)CCl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.6316506
LogD (pH = 7.4)
1.6316506
Log P
1.6316506
Molar Refractivity
53.935
Polarizability
20.552835
Polar Surface Area
20.31
Rotatable Bonds
1
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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