Molecule

ID:52480

General Information
Structure
MolImage
Molecular Formula
C₁₀H₈O₃
Molecular Mass
176.16872
Exact Mass
176.04734412
Charge
0
InChI
InChI=1S/C10H8O3/c1-12-8-4-2-7-3-5-10(11)13-9(7)6-8/h2-6H,1H3
InChIKey
LIIALPBMIOVAHH-UHFFFAOYSA-N
Canonic Smiles
COc1ccc2c(c1)oc(=O)cc2
Isomeric Smiles
o1c(=O)ccc2ccc(cc12)OC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.6256883
LogD (pH = 7.4)
1.6256883
Log P
1.6256883
Molar Refractivity
48.0118
Polarizability
18.220589
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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