Molecule

ID:84728

General Information
Structure
MolImage
Molecular Formula
C₉H₁₀O₂S
Molecular Mass
182.2395
Exact Mass
182.04015056
Charge
0
InChI
InChI=1S/C9H10O2S/c1-11-9(10)7-3-5-8(12-2)6-4-7/h3-6H,1-2H3
InChIKey
UQGNSVPCBCFZCE-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1ccc(cc1)SC
Isomeric Smiles
O=C(c1ccc(cc1)SC)OC
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.60494
LogD (pH = 7.4)
2.60494
Log P
2.60494
Molar Refractivity
50.8422
Polarizability
19.630112
Polar Surface Area
26.3
Rotatable Bonds
3
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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