Molecule

ID:40111

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₈N₂O₂
Molecular Mass
258.31562
Exact Mass
258.13682783
Charge
0
InChI
InChI=1S/C15H18N2O2/c1-2-19-15(18)13-7-9-17(10-8-13)14-5-3-12(11-16)4-6-14/h3-6,13H,2,7-10H2,1H3
InChIKey
LIWHXOHASZYDEM-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)C1CCN(CC1)c1ccc(cc1)C#N
Isomeric Smiles
c1(ccc(cc1)C#N)N1CCC(CC1)C(=O)OCC
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.5123491
LogD (pH = 7.4)
2.513188
Log P
2.5131986
Molar Refractivity
74.1078
Polarizability
28.065536
Polar Surface Area
53.33
Rotatable Bonds
4
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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