Molecule

ID:79770

General Information
Structure
MolImage
Molecular Formula
C₁₈H₁₄O₃
Molecular Mass
278.30196
Exact Mass
278.09429431
Charge
0
InChI
InChI=1S/C18H14O3/c19-17(15-7-3-1-4-8-15)11-13-21-14-12-18(20)16-9-5-2-6-10-16/h1-14H
InChIKey
LWJKKDKGPYSADF-UHFFFAOYSA-N
Canonic Smiles
O=C(c1ccccc1)/C=C/O/C=C/C(=O)c1ccccc1
Isomeric Smiles
O=C(c1ccccc1)/C=C/O/C=C/C(=O)c1ccccc1
Calculated Properties
JChem
LogD (pH = 5.5)
3.494653
LogD (pH = 7.4)
3.494653
Log P
3.494653
Molar Refractivity
82.6623
Polarizability
31.293333
Polar Surface Area
43.37
Rotatable Bonds
6
Lipinski's Rule of Five
true
Acid pKa
15.816414
H Acceptors
3
H Donor
0
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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