Molecule

ID:69913

General Information
Structure
MolImage
Molecular Formula
C₈H₈O₃
Molecular Mass
152.14732
Exact Mass
152.04734412
Charge
0
InChI
InChI=1S/C8H8O3/c1-5(9)8-6(10)3-2-4-7(8)11/h2-4,10-11H,1H3
InChIKey
YPTJKHVBDCRKNF-UHFFFAOYSA-N
Canonic Smiles
CC(=O)c1c(O)cccc1O
Isomeric Smiles
C(=O)(C)c1c(cccc1O)O
Calculated Properties
JChem
Acid pKa
8.981915
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
2.2236207
LogD (pH = 7.4)
2.2126071
Log P
2.2237628
Molar Refractivity
40.4226
Polarizability
15.296023
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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