Molecule

ID:136416

General Information
Structure
MolImage
Molecular Formula
C₁₇H₂₆N₂O
Molecular Mass
277.37910451
Exact Mass
277.21457798
Charge
0
InChI
InChI=1S/C17H26N2O/c1-4-11-19-12-6-5-10-15(19)17(20)18-16-13(2)8-7-9-14(16)3/h7-9,15H,4-6,10-12H2,1-3H3,(H,18,20)/i1+1,4+1,11+1
InChIKey
ZKMNUMMKYBVTFN-VACMSZJHSA-N
Canonic Smiles
[13CH3][13CH2][13CH2]N1CCCCC1C(=O)Nc1c(C)cccc1C
Isomeric Smiles
Cc1cccc(c1NC(=O)C1CCCCN1[13CH2][13CH2][13CH3])C
Calculated Properties
JChem
Acid pKa
13.623526
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.7783761
LogD (pH = 7.4)
3.5127594
Log P
4.07095
Molar Refractivity
85.5923
Polarizability
32.441116
Polar Surface Area
32.34
Rotatable Bonds
4
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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