Molecule

ID:92559

General Information
Structure
MolImage
Molecular Formula
C₁₁H₇ClOS
Molecular Mass
222.69068
Exact Mass
221.99061352
Charge
0
InChI
InChI=1S/C11H7ClOS/c12-11(13)9-3-1-8(2-4-9)10-5-6-14-7-10/h1-7H
InChIKey
UKIGBJXSLVJWCR-UHFFFAOYSA-N
Canonic Smiles
ClC(=O)c1ccc(cc1)c1cscc1
Isomeric Smiles
s1ccc(c1)c1ccc(cc1)C(=O)Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.5918257
LogD (pH = 7.4)
3.5918257
Log P
3.5918257
Molar Refractivity
59.4147
Polarizability
23.66275
Polar Surface Area
17.07
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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