Molecule

ID:7798

General Information
Structure
Molecular Formula
C₉H₈O₃
Molecular Mass
164.15802
Exact Mass
164.04734412
Charge
0
InChI
InChI=1S/C9H8O3/c1-7(11)12-9-4-2-3-8(5-9)6-10/h2-6H,1H3
InChIKey
GVUMZPWBUAGJBP-UHFFFAOYSA-N
Canonic Smiles
O=Cc1cccc(c1)OC(=O)C
Isomeric Smiles
C(=O)(Oc1cc(C=O)ccc1)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.2930092
LogD (pH = 7.4)
1.2930092
Log P
1.2930092
Molar Refractivity
43.7744
Polarizability
16.663004
Polar Surface Area
43.37
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
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References
Bioactivity
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