Molecule

ID:76121

General Information
Structure
MolImage
Molecular Formula
C₇H₈O₃
Molecular Mass
140.13662
Exact Mass
140.04734412
Charge
0
InChI
InChI=1S/C7H8O3/c1-5-3-4-10-6(5)7(8)9-2/h3-4H,1-2H3
InChIKey
AQQYRDKMXXSIMP-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1occc1C
Isomeric Smiles
o1ccc(c1C(=O)OC)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.5503908
LogD (pH = 7.4)
1.5503908
Log P
1.5503908
Molar Refractivity
35.5154
Polarizability
13.441086
Polar Surface Area
39.44
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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