Molecule

ID:110303

General Information
Structure
MolImage
Molecular Formula
C₁₈H₁₂N₂O
Molecular Mass
272.30068
Exact Mass
272.09496301
Charge
0
InChI
InChI=1S/C18H12N2O/c1-2-7-14(8-3-1)17-19-20-18(21-17)16-11-10-13-6-4-5-9-15(13)12-16/h1-12H
InChIKey
PFFNHKOLVBEBJN-UHFFFAOYSA-N
Canonic Smiles
c1ccc(cc1)c1nnc(o1)c1ccc2c(c1)cccc2
Isomeric Smiles
o1c(nnc1c1cc2ccccc2cc1)c1ccccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.9937027
LogD (pH = 7.4)
3.993703
Log P
3.993703
Molar Refractivity
103.637
Polarizability
33.640675
Polar Surface Area
38.92
Rotatable Bonds
2
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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