Molecule

ID:42447

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)12-7-9-17(10-8-12)14-6-4-3-5-13(14)11-16/h3-6,12H,2,7-10H2,1H3
InChIKey
BOIQTFCTVKFARG-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)C1CCN(CC1)c1ccccc1C#N
Isomeric Smiles
N1(c2c(cccc2)C#N)CCC(C(=O)OCC)CC1
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.5128174
LogD (pH = 7.4)
2.5131936
Log P
2.5131986
Molar Refractivity
74.1078
Polarizability
28.067707
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
No Data Available
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Molecule Details
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References
Bioactivity
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