Molecule

ID:22790

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₄N₂O
Molecular Mass
248.36386
Exact Mass
248.1888634
Charge
0
InChI
InChI=1S/C15H24N2O/c1-3-4-5-6-7-8-15(18)17-14-11-13(16)10-9-12(14)2/h9-11H,3-8,16H2,1-2H3,(H,17,18)
InChIKey
BMCQPUSMMXBYFY-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(cc1NC(=O)CCCCCCC)N
Isomeric Smiles
c1(NC(=O)CCCCCCC)cc(N)ccc1C
Calculated Properties
JChem
Acid pKa
14.240613
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
3.783759
LogD (pH = 7.4)
3.8183708
Log P
3.8188307
Molar Refractivity
78.2945
Polarizability
29.169617
Polar Surface Area
55.12
Rotatable Bonds
7
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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