Molecule

ID:78053

General Information
Structure
MolImage
Molecular Formula
C₇H₆O₄
Molecular Mass
154.12014
Exact Mass
154.02660867
Charge
0
InChI
InChI=1S/C7H6O4/c1-10-6(8)5-3-2-4-11-7(5)9/h2-4H,1H3
InChIKey
GJVZWOMUTYNUCE-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1cccoc1=O
Isomeric Smiles
o1c(=O)c(ccc1)C(=O)OC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
0.712493
LogD (pH = 7.4)
0.712493
Log P
0.712493
Molar Refractivity
36.9389
Polarizability
14.041528
Polar Surface Area
52.6
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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