Molecule

ID:135826

General Information
Structure
MolImage
Molecular Formula
C₈H₈O₃
Molecular Mass
152.14732
Exact Mass
152.04734412
Charge
0
InChI
InChI=1S/C8H8O3/c1-11-8-3-2-6(5-9)4-7(8)10/h2-5,10H,1H3
InChIKey
JVTZFYYHCGSXJV-UHFFFAOYSA-N
Canonic Smiles
O=Cc1ccc(c(c1)O)OC
Isomeric Smiles
c1cc(c(cc1C=O)O)OC
Calculated Properties
JChem
Acid pKa
9.392493
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.2244563
LogD (pH = 7.4)
1.2201469
Log P
1.2245116
Molar Refractivity
41.0861
Polarizability
15.3829975
Polar Surface Area
46.53
Rotatable Bonds
2
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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