Molecule

ID:41916

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₀N₂O₂
Molecular Mass
248.3208
Exact Mass
248.15247789
Charge
0
InChI
InChI=1S/C14H20N2O2/c1-2-18-14(17)11-7-9-16(10-8-11)13-5-3-12(15)4-6-13/h3-6,11H,2,7-10,15H2,1H3
InChIKey
JXCDVJXPSHIHLP-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)C1CCN(CC1)c1ccc(cc1)N
Isomeric Smiles
N1(c2ccc(N)cc2)CCC(C(=O)OCC)CC1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.1454925
LogD (pH = 7.4)
1.6179702
Log P
1.8281764
Molar Refractivity
73.0866
Polarizability
27.375147
Polar Surface Area
55.56
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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