Molecule

ID:80586

General Information
Structure
MolImage
Molecular Formula
C₉H₅ClOS
Molecular Mass
196.6534
Exact Mass
195.97496346
Charge
0
InChI
InChI=1S/C9H5ClOS/c10-9(11)8-5-6-3-1-2-4-7(6)12-8/h1-5H
InChIKey
DNGLRCHMGDDHNC-UHFFFAOYSA-N
Canonic Smiles
ClC(=O)c1cc2c(s1)cccc2
Isomeric Smiles
s1c(cc2ccccc12)C(=O)Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.1726227
LogD (pH = 7.4)
3.1726227
Log P
3.1726227
Molar Refractivity
50.2969
Polarizability
20.258354
Polar Surface Area
17.07
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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