Molecule

ID:80434

General Information
Structure
MolImage
Molecular Formula
C₁₇H₁₄O₄
Molecular Mass
282.29066
Exact Mass
282.08920893
Charge
0
InChI
InChI=1S/C17H14O4/c1-19-14-6-4-13(5-7-14)15(18)8-2-12-3-9-16-17(10-12)21-11-20-16/h2-10H,11H2,1H3
InChIKey
LBZPKCQXIJFJKS-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1)C(=O)/C=C/c1ccc2c(c1)OCO2
Isomeric Smiles
O1c2c(ccc(c2)/C=C/C(=O)c2ccc(cc2)OC)OC1
Calculated Properties
JChem
Acid pKa
17.080225
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
3.3558874
LogD (pH = 7.4)
3.3558874
Log P
3.3558874
Molar Refractivity
79.1071
Polarizability
30.30775
Polar Surface Area
44.76
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
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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