Molecule

ID:48471

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₀N₂O₂
Molecular Mass
248.3208
Exact Mass
248.15247789
Charge
0
InChI
InChI=1S/C14H20N2O2/c1-2-16(12-6-4-3-5-7-12)13-10-11(14(17)18)8-9-15-13/h8-10,12H,2-7H2,1H3,(H,17,18)
InChIKey
XQZGFZOIOZXNCM-UHFFFAOYSA-N
Canonic Smiles
CCN(c1nccc(c1)C(=O)O)C1CCCCC1
Isomeric Smiles
c1(N(C2CCCCC2)CC)cc(C(=O)O)ccn1
Calculated Properties
JChem
Acid pKa
0.892814
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
1.5744555
LogD (pH = 7.4)
1.1668472
Log P
1.5832759
Molar Refractivity
71.6622
Polarizability
26.902
Polar Surface Area
53.43
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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