Molecule

ID:134407

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₀OS
Molecular Mass
202.2722
Exact Mass
202.04523594
Charge
0
InChI
InChI=1S/C12H10OS/c1-9(13)14-12-7-6-10-4-2-3-5-11(10)8-12/h2-8H,1H3
InChIKey
NMFMUXYHGNUOAI-UHFFFAOYSA-N
Canonic Smiles
CC(=O)Sc1ccc2c(c1)cccc2
Isomeric Smiles
CC(=O)Sc1ccc2ccccc2c1
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.044538
LogD (pH = 7.4)
3.044538
Log P
3.044538
Molar Refractivity
60.0839
Polarizability
24.730984
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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