Molecule

ID:70019

General Information
Structure
MolImage
Molecular Formula
C₁₀H₈O₂
Molecular Mass
160.16932
Exact Mass
160.0524295
Charge
0
InChI
InChI=1S/C10H8O2/c1-7-2-4-9-8(6-7)3-5-10(11)12-9/h2-6H,1H3
InChIKey
FXFYOPQLGGEACP-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc2c(c1)ccc(=O)o2
Isomeric Smiles
o1c(=O)ccc2cc(ccc12)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.296781
LogD (pH = 7.4)
2.296781
Log P
2.296781
Molar Refractivity
46.5898
Polarizability
17.459162
Polar Surface Area
26.3
Rotatable Bonds
0
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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