Molecule

ID:130552

General Information
Structure
MolImage
Molecular Formula
C₁₇H₁₄O₄
Molecular Mass
282.29066
Exact Mass
282.08920893
Charge
0
InChI
InChI=1S/C17H14O4/c1-19-14-9-8-12-13(18)10-15(11-6-4-3-5-7-11)21-16(12)17(14)20-2/h3-10H,1-2H3
InChIKey
KJRQQECDVUXBCO-UHFFFAOYSA-N
Canonic Smiles
COc1c(OC)ccc2c1oc(cc2=O)c1ccccc1
Isomeric Smiles
COc1ccc2c(=O)cc(oc2c1OC)c1ccccc1
Calculated Properties
JChem
Acid pKa
15.682544
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
30.303099
Polar Surface Area
44.76
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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