Molecule

ID:118396

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₀N₂O₂
Molecular Mass
248.3208
Exact Mass
248.15247789
Charge
0
InChI
InChI=1S/C14H20N2O2/c1-4-7-16-11-8-10(15)5-6-12(11)18-9-14(2,3)13(16)17/h5-6,8H,4,7,9,15H2,1-3H3
InChIKey
PKILWPMXPHSQBW-UHFFFAOYSA-N
Canonic Smiles
CCCN1c2cc(N)ccc2OCC(C1=O)(C)C
Isomeric Smiles
N1(C(=O)C(COc2c1cc(N)cc2)(C)C)CCC
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.940906
LogD (pH = 7.4)
2.004227
Log P
2.0050976
Molar Refractivity
71.6889
Polarizability
27.343182
Polar Surface Area
55.56
Rotatable Bonds
2
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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