Molecule

ID:92867

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(13-9-5-4-6-10-13)18-14-11-7-8-12(2)19(14)16/h4-11H,3H2,1-2H3
InChIKey
FEMCXABXVNOHKH-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1c(nc2n1c(C)ccc2)c1ccccc1
Isomeric Smiles
n1c2n(c(ccc2)C)c(c1c1ccccc1)C(=O)OCC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.267949
LogD (pH = 7.4)
3.2724152
Log P
3.2724724
Molar Refractivity
82.5017
Polarizability
32.29653
Polar Surface Area
43.6
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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