Molecule

ID:85519

General Information
Structure
MolImage
Molecular Formula
C₁₀H₈O₃
Molecular Mass
176.16872
Exact Mass
176.04734412
Charge
0
InChI
InChI=1S/C10H8O3/c1-12-9-6-10(11)13-8-5-3-2-4-7(8)9/h2-6H,1H3
InChIKey
MLCMXDYMSAZNPC-UHFFFAOYSA-N
Canonic Smiles
COc1cc(=O)oc2c1cccc2
Isomeric Smiles
o1c(=O)cc(c2ccccc12)OC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.1426401
LogD (pH = 7.4)
1.1426401
Log P
1.1426401
Molar Refractivity
48.1921
Polarizability
18.229235
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
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References
Bioactivity
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