Molecule

ID:80491

General Information
Structure
MolImage
Molecular Formula
C₈H₆O₃
Molecular Mass
150.13144
Exact Mass
150.03169405
Charge
0
InChI
InChI=1S/C8H6O3/c9-4-6-2-1-3-7-8(6)11-5-10-7/h1-4H,5H2
InChIKey
QZMQKPGVXNSITP-UHFFFAOYSA-N
Canonic Smiles
O=Cc1cccc2c1OCO2
Isomeric Smiles
O1c2c(cccc2C=O)OC1
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.3089817
LogD (pH = 7.4)
1.3089817
Log P
1.3089817
Molar Refractivity
38.4089
Polarizability
14.716505
Polar Surface Area
35.53
Rotatable Bonds
1
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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