Molecule
ID:120272
General Information
Molecular Formula
C₁₄H₁₈N₂O₂
Molecular Mass
246.30492
Exact Mass
246.13682783
Charge
0
InChI
InChI=1S/C14H18N2O2/c1-2-3-4-9-12-14(18)15-11-8-6-5-7-10(11)13(17)16-12/h5-8,12H,2-4,9H2,1H3,(H,15,18)(H,16,17)
InChIKey
POKHSIRCEXSJBL-UHFFFAOYSA-N
Canonic Smiles
CCCCCC1NC(=O)c2c(NC1=O)cccc2
Isomeric Smiles
C1(=O)NC(C(=O)Nc2c1cccc2)CCCCC
Calculated Properties
JChem
Acid pKa
12.032581
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
3.061594
LogD (pH = 7.4)
3.0615845
Log P
3.0615942
Molar Refractivity
71.1579
Polarizability
26.521994
Polar Surface Area
58.2
Rotatable Bonds
4
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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