Molecule

ID:105017

General Information
Structure
MolImage
Molecular Formula
C₂₀H₁₁NO₂
Molecular Mass
297.30684
Exact Mass
297.0789786
Charge
0
InChI
InChI=1S/C20H11NO2/c22-18-10-11-19(23)21(18)17-9-8-15-13-5-2-1-4-12(13)14-6-3-7-16(17)20(14)15/h1-11H
InChIKey
TUISHUGHCOJZCP-UHFFFAOYSA-N
Canonic Smiles
O=C1C=CC(=O)N1c1ccc2c3c1cccc3c1c2cccc1
Isomeric Smiles
O=C1C=CC(=O)N1c1ccc2c3ccccc3c3c2c1ccc3
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.5564125
LogD (pH = 7.4)
3.5564132
Log P
3.5564132
Molar Refractivity
88.6903
Polarizability
37.27004
Polar Surface Area
37.38
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
References
Bioactivity
Navigation