Molecule

ID:40684

General Information
Structure
MolImage
Molecular Formula
C₁₁H₈OS
Molecular Mass
188.24562
Exact Mass
188.02958588
Charge
0
InChI
InChI=1S/C11H8OS/c12-8-10-6-7-11(13-10)9-4-2-1-3-5-9/h1-8H
InChIKey
APWHJDHTLFVWSQ-UHFFFAOYSA-N
Canonic Smiles
O=Cc1ccc(s1)c1ccccc1
Isomeric Smiles
c1(sc(cc1)C=O)c1ccccc1
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.2425609
LogD (pH = 7.4)
3.2425609
Log P
3.2425609
Molar Refractivity
54.4522
Polarizability
21.868725
Polar Surface Area
17.07
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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