Molecule

ID:57453

General Information
Structure
MolImage
Molecular Formula
C₂₁H₁₄O₂
Molecular Mass
298.33466
Exact Mass
298.09937969
Charge
0
InChI
InChI=1S/C21H14O2/c22-15-11-9-14(10-12-15)13-20-16-5-1-3-7-18(16)21(23)19-8-4-2-6-17(19)20/h1-13,22H
InChIKey
ZIVKLZVCDDETHC-UHFFFAOYSA-N
Canonic Smiles
Oc1ccc(cc1)/C=C/1\c2ccccc2C(=O)c2c1cccc2
Isomeric Smiles
c1ccc2c(c1)C(=O)c1c(/C/2=C/c2ccc(cc2)O)cccc1
Calculated Properties
JChem
Acid pKa
9.032014
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
4.9287004
LogD (pH = 7.4)
4.9188695
Log P
4.9288273
Molar Refractivity
101.5639
Polarizability
35.08014
Polar Surface Area
37.3
Rotatable Bonds
1
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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