Molecule

ID:92842

General Information
Structure
MolImage
Molecular Formula
C₁₇H₁₆N₂O₂
Molecular Mass
280.32114
Exact Mass
280.12117776
Charge
0
InChI
InChI=1S/C17H16N2O2/c1-3-21-17(20)16-15(13-7-5-4-6-8-13)18-14-10-9-12(2)11-19(14)16/h4-11H,3H2,1-2H3
InChIKey
PGKICPOZCQGAHE-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1c(nc2n1cc(C)cc2)c1ccccc1
Isomeric Smiles
n1c2n(cc(cc2)C)c(c1c1ccccc1)C(=O)OCC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.5784104
LogD (pH = 7.4)
3.586232
Log P
3.5863326
Molar Refractivity
82.3932
Polarizability
32.294888
Polar Surface Area
43.6
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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