Molecule

ID:54341

General Information
Structure
MolImage
Molecular Formula
C₁₁H₇ClOS
Molecular Mass
222.69068
Exact Mass
221.99061352
Charge
0
InChI
InChI=1S/C11H7ClOS/c12-11(13)9-5-2-1-4-8(9)10-6-3-7-14-10/h1-7H
InChIKey
JVOVWZAGQKKACR-UHFFFAOYSA-N
Canonic Smiles
ClC(=O)c1ccccc1c1cccs1
Isomeric Smiles
c1ccc(c(c1)C(=O)Cl)c1cccs1
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.5885317
LogD (pH = 7.4)
3.5885317
Log P
3.5885317
Molar Refractivity
59.1988
Polarizability
23.673933
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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