Molecule

ID:67079

General Information
Structure
MolImage
Molecular Formula
C₁₆H₂₀N₂O₂
Molecular Mass
272.3422
Exact Mass
272.15247789
Charge
0
InChI
InChI=1S/C16H20N2O2/c1-2-20-15(19)16(13-17)8-10-18(11-9-16)12-14-6-4-3-5-7-14/h3-7H,2,8-12H2,1H3
InChIKey
FPMGPVRBKDTWFD-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)C1(CCN(CC1)Cc1ccccc1)C#N
Isomeric Smiles
N1(CCC(CC1)(C(=O)OCC)C#N)Cc1ccccc1
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
0.5044002
LogD (pH = 7.4)
2.045315
Log P
2.296111
Molar Refractivity
77.6978
Polarizability
30.144331
Polar Surface Area
53.33
Rotatable Bonds
5
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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