Molecule

ID:111126

General Information
Structure
MolImage
Molecular Formula
C₈H₈O₃
Molecular Mass
152.14732
Exact Mass
152.04734412
Charge
0
InChI
InChI=1S/C8H8O3/c1-6(9)11-8-4-2-3-7(10)5-8/h2-5,10H,1H3
InChIKey
ZZPKZRHERLGEKA-UHFFFAOYSA-N
Canonic Smiles
CC(=O)Oc1cccc(c1)O
Isomeric Smiles
CC(=O)Oc1cccc(O)c1
Calculated Properties
JChem
LogD (pH = 7.4)
1.27
LogD (pH = 5.5)
1.28
Log P
1.28
Rotatable Bonds
2
H Donor
1
H Acceptors
2
Lipinski's Rule of Five
true
Acid pKa
9.03
Polar Surface Area
46.53
Polarizability
15.06
Molar Refractivity
39.17
LOG S
-1.32
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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