Molecule
ID:56113
General Information
Molecular Formula
C₁₄H₁₆N₂O₂
Molecular Mass
244.28904
Exact Mass
244.12117776
Charge
0
InChI
InChI=1S/C14H16N2O2/c15-9-5-7-10(8-6-9)16-13(17)11-3-1-2-4-12(11)14(16)18/h5-8,11-12H,1-4,15H2
InChIKey
BYXNEIGIJKUGON-UHFFFAOYSA-N
Canonic Smiles
O=C1C2CCCCC2C(=O)N1c1ccc(cc1)N
Isomeric Smiles
N1(C(=O)C2CCCCC2C1=O)c1ccc(cc1)N
Calculated Properties
JChem
Acid pKa
17.54079
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.5678859
LogD (pH = 7.4)
1.5705864
Log P
1.570621
Molar Refractivity
68.2049
Polarizability
26.01086
Polar Surface Area
63.4
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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