Molecule

ID:90193

General Information
Structure
MolImage
Molecular Formula
C₈H₈O₃
Molecular Mass
152.14732
Exact Mass
152.04734412
Charge
0
InChI
InChI=1S/C8H8O3/c1-11-7-4-2-3-6(5-7)8(9)10/h2-5H,1H3,(H,9,10)
InChIKey
XHQZJYCNDZAGLW-UHFFFAOYSA-N
Canonic Smiles
COc1cccc(c1)C(=O)O
Isomeric Smiles
O=C(c1cc(ccc1)OC)O
Calculated Properties
JChem
LogD (pH = 7.4)
-1.77
LogD (pH = 5.5)
-0.19
Log P
1.47
Rotatable Bonds
2
H Donor
1
H Acceptors
3
Lipinski's Rule of Five
true
Acid pKa
3.84
Polar Surface Area
46.53
Polarizability
14.94
Molar Refractivity
39.78
LOG S
-1.52
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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