Molecule

ID:69739

General Information
Structure
MolImage
Molecular Formula
C₁₉H₁₄O
Molecular Mass
258.31386
Exact Mass
258.10446507
Charge
0
InChI
InChI=1S/C19H14O/c20-19(17-9-5-2-6-10-17)18-13-11-16(12-14-18)15-7-3-1-4-8-15/h1-14H
InChIKey
LYXOWKPVTCPORE-UHFFFAOYSA-N
Canonic Smiles
O=C(c1ccccc1)c1ccc(cc1)c1ccccc1
Isomeric Smiles
c1(ccc(cc1)C(=O)c1ccccc1)c1ccccc1
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
5.0798244
LogD (pH = 7.4)
5.0798244
Log P
5.0798244
Molar Refractivity
81.7697
Polarizability
33.1219
Polar Surface Area
17.07
Rotatable Bonds
3
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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