Molecule

ID:39890

General Information
Structure
MolImage
Molecular Formula
C₉H₈O₃
Molecular Mass
164.15802
Exact Mass
164.04734412
Charge
0
InChI
InChI=1S/C9H8O3/c1-12-9(11)8-5-3-2-4-7(8)6-10/h2-6H,1H3
InChIKey
YRMODRRGEUGHTF-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1ccccc1C=O
Isomeric Smiles
C(=O)(c1c(C=O)cccc1)OC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.6892251
LogD (pH = 7.4)
1.6892251
Log P
1.6892251
Molar Refractivity
44.6673
Polarizability
16.658339
Polar Surface Area
43.37
Rotatable Bonds
3
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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