Molecule

ID:91618

General Information
Structure
MolImage
Molecular Formula
C₁₁H₈O₂
Molecular Mass
172.18002
Exact Mass
172.0524295
Charge
0
InChI
InChI=1S/C11H8O2/c12-8-9-3-5-10(6-4-9)11-2-1-7-13-11/h1-8H
InChIKey
WBUXKMOCVYRVES-UHFFFAOYSA-N
Canonic Smiles
O=Cc1ccc(cc1)c1ccco1
Isomeric Smiles
o1c(ccc1)c1ccc(cc1)C=O
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.3932202
LogD (pH = 7.4)
2.3932202
Log P
2.3932202
Molar Refractivity
50.1691
Polarizability
20.062328
Polar Surface Area
30.21
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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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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