Molecule

ID:23358

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₀N₂O
Molecular Mass
244.3321
Exact Mass
244.15756327
Charge
0
InChI
InChI=1S/C15H20N2O/c16-14-8-4-7-13(11-14)15(18)17-10-9-12-5-2-1-3-6-12/h4-5,7-8,11H,1-3,6,9-10,16H2,(H,17,18)
InChIKey
WGSOBBFZVAUDRZ-UHFFFAOYSA-N
Canonic Smiles
Nc1cccc(c1)C(=O)NCCC1=CCCCC1
Isomeric Smiles
C(=O)(c1cc(N)ccc1)NCCC1=CCCCC1
Calculated Properties
JChem
Acid pKa
15.145532
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
2.2916074
LogD (pH = 7.4)
2.2939253
Log P
2.2939548
Molar Refractivity
76.0065
Polarizability
28.066193
Polar Surface Area
55.12
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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