Molecule

ID:40540

General Information
Structure
Molecular Formula
C₁₇H₂₀N₂O₂
Molecular Mass
284.3529
Exact Mass
284.15247789
Charge
0
InChI
InChI=1S/C17H20N2O2/c1-2-21-17(20)16(12-18)15-8-10-19(11-9-15)13-14-6-4-3-5-7-14/h3-7H,2,8-11,13H2,1H3
InChIKey
HSTSIRUENGPGSB-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)/C(=C/1\CCN(CC1)Cc1ccccc1)/C#N
Isomeric Smiles
C(=C\1/CCN(Cc2ccccc2)CC1)(\C(=O)OCC)/C#N
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
0.53165793
LogD (pH = 7.4)
2.2263439
Log P
2.6784143
Molar Refractivity
82.9557
Polarizability
31.745577
Polar Surface Area
53.33
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
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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