Molecule

ID:34825

General Information
Structure
MolImage
Molecular Formula
C₈H₈O₃
Molecular Mass
152.14732
Exact Mass
152.04734412
Charge
0
InChI
InChI=1S/C8H8O3/c1-11-8-4-7(10)3-2-6(8)5-9/h2-5,10H,1H3
InChIKey
WBIZZNFQJPOKDK-UHFFFAOYSA-N
Canonic Smiles
COc1cc(O)ccc1C=O
Isomeric Smiles
c1(c(ccc(c1)O)C=O)OC
Calculated Properties
JChem
Acid pKa
7.3680034
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.2187059
LogD (pH = 7.4)
0.91037947
Log P
1.2245116
Molar Refractivity
41.0861
Polarizability
15.363701
Polar Surface Area
46.53
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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