Molecule

ID:107887

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₂N₂O₂
Molecular Mass
264.27868
Exact Mass
264.08987763
Charge
0
InChI
InChI=1S/C16H12N2O2/c1-11-7-13(3-5-15(11)17-9-19)14-4-6-16(18-10-20)12(2)8-14/h3-8H,1-2H3
InChIKey
ICLCCFKUSALICQ-UHFFFAOYSA-N
Canonic Smiles
O=C=Nc1ccc(cc1C)c1ccc(c(c1)C)N=C=O
Isomeric Smiles
Cc1c(ccc(c1)c1cc(C)c(cc1)N=C=O)N=C=O
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
4.4664254
LogD (pH = 7.4)
4.4664254
Log P
4.4664254
Molar Refractivity
79.4206
Polarizability
29.418575
Polar Surface Area
58.86
Rotatable Bonds
3
Lipinski's Rule of Five
true
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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