Molecule

ID:82875

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₆N₂O₂
Molecular Mass
232.27834
Exact Mass
232.12117776
Charge
0
InChI
InChI=1S/C13H16N2O2/c1-4-17-13(16)12-8-11(9-14-10-12)6-5-7-15(2)3/h8-10H,4,7H2,1-3H3
InChIKey
LXTGZZKFUKFABN-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1cncc(c1)C#CCN(C)C
Isomeric Smiles
n1cc(cc(c1)C#CCN(C)C)C(=O)OCC
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
-0.63350904
LogD (pH = 7.4)
1.0668768
Log P
1.5310991
Molar Refractivity
64.8496
Polarizability
25.319696
Polar Surface Area
42.43
Rotatable Bonds
6
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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