Molecule

ID:58576

General Information
Structure
MolImage
Molecular Formula
C₈H₈O₃
Molecular Mass
152.14732
Exact Mass
152.04734412
Charge
0
InChI
InChI=1S/C8H8O3/c1-5-2-3-6(8(10)11)4-7(5)9/h2-4,9H,1H3,(H,10,11)
InChIKey
ZQLCWPXBHUALQC-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1ccc(c(c1)O)C
Isomeric Smiles
c1(c(ccc(c1)C(=O)O)C)O
Calculated Properties
JChem
Acid pKa
4.062243
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
0.39084542
LogD (pH = 7.4)
-1.2830156
Log P
1.8406848
Molar Refractivity
40.3363
Polarizability
15.052421
Polar Surface Area
57.53
Rotatable Bonds
1
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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