Molecule

ID:41390

General Information
Structure
MolImage
Molecular Formula
C₁₇H₂₀N₂O
Molecular Mass
268.3535
Exact Mass
268.15756327
Charge
0
InChI
InChI=1S/C17H20N2O/c1-11-7-12(2)16(13(3)8-11)10-19-14(4)15(9-18)5-6-17(19)20/h7-8H,5-6,10H2,1-4H3
InChIKey
YLGOXBMFCHMBED-UHFFFAOYSA-N
Canonic Smiles
N#CC1=C(C)N(C(=O)CC1)Cc1c(C)cc(cc1C)C
Isomeric Smiles
N1(C(=C(CCC1=O)C#N)C)Cc1c(cc(cc1C)C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.0973606
LogD (pH = 7.4)
3.0973606
Log P
3.0973606
Molar Refractivity
82.3825
Polarizability
30.433184
Polar Surface Area
44.1
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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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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