Molecule

ID:92221

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₈N₂O₂
Molecular Mass
246.30492
Exact Mass
246.13682783
Charge
0
InChI
InChI=1S/C14H18N2O2/c1-10(17)16-13-4-2-11(3-5-13)14(18)12-6-8-15-9-7-12/h2-5,12,15H,6-9H2,1H3,(H,16,17)
InChIKey
LLEYCMVEUNZRIO-UHFFFAOYSA-N
Canonic Smiles
O=C(c1ccc(cc1)NC(=O)C)C1CCNCC1
Isomeric Smiles
N1CCC(CC1)C(=O)c1ccc(cc1)NC(=O)C
Calculated Properties
JChem
Acid pKa
13.793388
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-2.3498762
LogD (pH = 7.4)
-1.6950939
Log P
0.8721816
Molar Refractivity
71.7554
Polarizability
27.10382
Polar Surface Area
58.2
Rotatable Bonds
3
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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