Molecule

ID:78491

General Information
Structure
MolImage
Molecular Formula
C₈H₈O₃
Molecular Mass
152.14732
Exact Mass
152.04734412
Charge
0
InChI
InChI=1S/C8H8O3/c1-11-7-2-3-8(10)6(4-7)5-9/h2-5,10H,1H3
InChIKey
FZHSPPYCNDYIKD-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(c(c1)C=O)O
Isomeric Smiles
O=Cc1c(ccc(c1)OC)O
Calculated Properties
JChem
LogD (pH = 7.4)
1.87
LogD (pH = 5.5)
1.87
Log P
1.87
Rotatable Bonds
2
H Donor
1
H Acceptors
3
Lipinski's Rule of Five
true
Acid pKa
9.42
Polar Surface Area
46.53
Polarizability
14.86
Molar Refractivity
41.09
LOG S
-0.95
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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