Molecule

ID:68539

General Information
Structure
MolImage
Molecular Formula
C₈H₈O₃
Molecular Mass
152.14732
Exact Mass
152.04734412
Charge
0
InChI
InChI=1S/C8H8O3/c1-11-8-4-6(5-9)2-3-7(8)10/h2-5,10H,1H3
InChIKey
MWOOGOJBHIARFG-UHFFFAOYSA-N
Canonic Smiles
COc1cc(C=O)ccc1O
Isomeric Smiles
C(=O)c1cc(c(cc1)O)OC
Calculated Properties
JChem
LogD (pH = 7.4)
1.08
LogD (pH = 5.5)
1.22
Log P
1.22
Rotatable Bonds
2
H Donor
1
H Acceptors
3
Lipinski's Rule of Five
true
Acid pKa
7.81
Polar Surface Area
46.53
Polarizability
14.87
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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