Molecule

ID:90529

General Information
Structure
MolImage
Molecular Formula
C₇H₈O₃
Molecular Mass
140.13662
Exact Mass
140.04734412
Charge
0
InChI
InChI=1S/C7H8O3/c1-6(8)10-5-7-3-2-4-9-7/h2-4H,5H2,1H3
InChIKey
CKOYRRWBOKMNRG-UHFFFAOYSA-N
Canonic Smiles
CC(=O)OCc1ccco1
Isomeric Smiles
o1cccc1COC(=O)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
0.7072681
LogD (pH = 7.4)
0.7072681
Log P
0.7072681
Molar Refractivity
34.4163
Polarizability
13.527917
Polar Surface Area
39.44
Rotatable Bonds
3
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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