Molecule

ID:90261

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₂O₃
Molecular Mass
252.26468
Exact Mass
252.07864424
Charge
0
InChI
InChI=1S/C16H12O3/c1-18-14-9-5-8-12-10-13(16(17)19-15(12)14)11-6-3-2-4-7-11/h2-10H,1H3
InChIKey
DPBUTRVKKSUGHH-UHFFFAOYSA-N
Canonic Smiles
COc1cccc2c1oc(=O)c(c2)c1ccccc1
Isomeric Smiles
o1c2c(cccc2cc(c1=O)c1ccccc1)OC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.293776
LogD (pH = 7.4)
3.293776
Log P
3.293776
Molar Refractivity
72.4639
Polarizability
27.876417
Polar Surface Area
35.53
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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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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