Molecule

ID:121466

General Information
Structure
MolImage
Molecular Formula
C₁₁H₈O₂
Molecular Mass
172.18002
Exact Mass
172.0524295
Charge
0
InChI
InChI=1S/C11H8O2/c12-8-10-6-7-11(13-10)9-4-2-1-3-5-9/h1-8H
InChIKey
BMJHNNPEPBZULA-UHFFFAOYSA-N
Canonic Smiles
O=Cc1ccc(o1)c1ccccc1
Isomeric Smiles
c1(oc(cc1)C=O)c1ccccc1
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.3132212
LogD (pH = 7.4)
2.3132212
Log P
2.3132212
Molar Refractivity
50.0466
Polarizability
20.070755
Polar Surface Area
30.21
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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