Molecule

ID:18751

General Information
Structure
Molecular Formula
C₁₄H₂₀N₂O₂
Molecular Mass
248.3208
Exact Mass
248.15247789
Charge
0
InChI
InChI=1S/C14H20N2O2/c1-15-6-8-16(9-7-15)10-11-18-14-5-3-2-4-13(14)12-17/h2-5,12H,6-11H2,1H3
InChIKey
LPKVLSKAKVNXOV-UHFFFAOYSA-N
Canonic Smiles
O=Cc1ccccc1OCCN1CCN(CC1)C
Isomeric Smiles
N1(CCN(CC1)C)CCOc1c(C=O)cccc1
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
-0.5840596
LogD (pH = 7.4)
1.0476122
Log P
1.393841
Molar Refractivity
73.1744
Polarizability
28.115475
Polar Surface Area
32.78
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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