Molecule

ID:135545

General Information
Structure
MolImage
Molecular Formula
C₂₃H₁₄O
Molecular Mass
306.35666
Exact Mass
306.10446507
Charge
0
InChI
InChI=1S/C23H14O/c24-23-21-17-9-13-5-1-2-6-14(13)10-18(17)22(23)20-12-16-8-4-3-7-15(16)11-19(20)21/h1-12,21-22H
InChIKey
NOXKGSQPEBYYNP-UHFFFAOYSA-N
Canonic Smiles
O=C1C2c3c(C1c1c2cc2c(c1)cccc2)cc1c(c3)cccc1
Isomeric Smiles
c1ccc2cc3c(cc2c1)C1c2cc4ccccc4cc2C3C1=O
Calculated Properties
JChem
Acid pKa
14.59586
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
5.1610017
LogD (pH = 7.4)
5.1610017
Log P
5.1610017
Molar Refractivity
95.762
Polarizability
39.31226
Polar Surface Area
17.07
Rotatable Bonds
0
Lipinski's Rule of Five
false
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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