Molecule

ID:84705

General Information
Structure
Molecular Formula
C₁₇H₁₂O₄
Molecular Mass
280.27478
Exact Mass
280.07355886
Charge
0
InChI
InChI=1S/C17H12O4/c1-20-14-5-3-12(4-6-14)17(19)16-9-13-8-11(10-18)2-7-15(13)21-16/h2-10H,1H3
InChIKey
IKRGAQSOLZHDGM-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1)C(=O)c1cc2c(o1)ccc(c2)C=O
Isomeric Smiles
o1c(cc2cc(ccc12)C=O)C(=O)c1ccc(cc1)OC
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
3.0665545
LogD (pH = 7.4)
3.0665545
Log P
3.0665545
Molar Refractivity
78.3993
Polarizability
30.773901
Polar Surface Area
56.51
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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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