Molecule
ID:119736
General Information
Molecular Formula
C₁₄H₁₆N₂O
Molecular Mass
228.28964
Exact Mass
228.12626314
Charge
0
InChI
InChI=1S/C14H16N2O/c1-15-9-12-8-11-5-2-4-10-6-3-7-16(13(10)11)14(12)17/h2,4-5,8,15H,3,6-7,9H2,1H3
InChIKey
HOXBKJLVDHSBOU-UHFFFAOYSA-N
Canonic Smiles
CNCc1cc2cccc3c2n(c1=O)CCC3
Isomeric Smiles
n12c(=O)c(cc3c1c(ccc3)CCC2)CNC
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.6324632
LogD (pH = 7.4)
-0.13270773
Log P
1.3861436
Molar Refractivity
68.8696
Polarizability
26.159275
Polar Surface Area
32.34
Rotatable Bonds
2
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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