Molecule

ID:78663

General Information
Structure
MolImage
Molecular Formula
C₂₀H₁₄O₃
Molecular Mass
302.32336
Exact Mass
302.09429431
Charge
0
InChI
InChI=1S/C20H14O3/c21-18(17-8-7-15-3-1-2-4-16(15)12-17)9-5-14-6-10-19-20(11-14)23-13-22-19/h1-12H,13H2
InChIKey
UIASZIZNIOGSLS-UHFFFAOYSA-N
Canonic Smiles
O=C(c1ccc2c(c1)cccc2)/C=C/c1ccc2c(c1)OCO2
Isomeric Smiles
O1c2cc(ccc2OC1)/C=C/C(=O)c1cc2ccccc2cc1
Calculated Properties
JChem
Acid pKa
16.823383
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
4.5030355
LogD (pH = 7.4)
4.5030355
Log P
4.5030355
Molar Refractivity
89.0941
Polarizability
35.345264
Polar Surface Area
35.53
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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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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