Molecule

ID:15471

General Information
Structure
MolImage
Molecular Formula
C₁₀H₈OS
Molecular Mass
176.23492
Exact Mass
176.02958588
Charge
0
InChI
InChI=1S/C10H8OS/c1-7-8-4-2-3-5-9(8)12-10(7)6-11/h2-6H,1H3
InChIKey
DRZGHNXLEQHVHB-UHFFFAOYSA-N
Canonic Smiles
O=Cc1sc2c(c1C)cccc2
Isomeric Smiles
c1ccc2c(c1)sc(c2C)C=O
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.2076337
LogD (pH = 7.4)
3.2076337
Log P
3.2076337
Molar Refractivity
50.8074
Polarizability
20.175304
Polar Surface Area
17.07
Rotatable Bonds
1
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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