Molecule

ID:108721

General Information
Structure
MolImage
Molecular Formula
C₁₇H₁₄O₄
Molecular Mass
282.29066
Exact Mass
282.08920893
Charge
0
InChI
InChI=1S/C17H14O4/c1-19-11-7-8-15(20-2)13(9-11)17-10-14(18)12-5-3-4-6-16(12)21-17/h3-10H,1-2H3
InChIKey
YVAMPWXEJCQAJJ-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1c1cc(=O)c2c(o1)cccc2)OC
Isomeric Smiles
COc1cc(c2cc(=O)c3ccccc3o2)c(OC)cc1
Calculated Properties
JChem
Acid pKa
14.967987
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
2.6520426
LogD (pH = 7.4)
2.6520426
Log P
2.6520426
Molar Refractivity
79.8976
Polarizability
30.300615
Polar Surface Area
44.76
Rotatable Bonds
3
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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