Molecule

ID:72989

General Information
Structure
MolImage
Molecular Formula
C₁₈H₁₂O₃
Molecular Mass
276.28608
Exact Mass
276.07864424
Charge
0
InChI
InChI=1S/C18H12O3/c1-9-4-3-5-12-11(9)6-7-13-15(12)17(20)16(19)14-10(2)8-21-18(13)14/h3-8H,1-2H3
InChIKey
AIGAZQPHXLWMOJ-UHFFFAOYSA-N
Canonic Smiles
Cc1coc2c1C(=O)C(=O)c1c2ccc2c1cccc2C
Isomeric Smiles
c1ccc2c(c1C)ccc1c2C(=O)C(=O)c2c1occ2C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.9952722
LogD (pH = 7.4)
3.9952722
Log P
3.9952722
Molar Refractivity
80.0745
Polarizability
32.294983
Polar Surface Area
47.28
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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