Molecule

ID:129201

General Information
Structure
Molecular Formula
C₁₆H₂₃NO
Molecular Mass
245.35992
Exact Mass
245.17796436
Charge
0
InChI
InChI=1S/C16H23NO/c1-3-6-15(17-11-4-5-12-17)16(18)14-9-7-13(2)8-10-14/h7-10,15H,3-6,11-12H2,1-2H3
InChIKey
SWUVZKWCOBGPTH-UHFFFAOYSA-N
Canonic Smiles
CCCC(C(=O)c1ccc(cc1)C)N1CCCC1
Isomeric Smiles
O=C(c1ccc(cc1)C)C(N1CCCC1)CCC
Calculated Properties
JChem
Acid pKa
18.048689
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.4771571
LogD (pH = 7.4)
3.2322004
Log P
3.877466
Molar Refractivity
76.0909
Polarizability
29.543032
Polar Surface Area
20.31
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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