Molecule

ID:112990

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₈N₂O
Molecular Mass
252.39562
Exact Mass
252.22016353
Charge
0
InChI
InChI=1S/C15H28N2O/c1-3-5-7-16-9-13-11-17(8-6-4-2)12-14(10-16)15(13)18/h13-14H,3-12H2,1-2H3
InChIKey
JDZITGDSCMKQPR-UHFFFAOYSA-N
Canonic Smiles
CCCCN1C[C@@H]2CN(C[C@H](C1)C2=O)CCCC
Isomeric Smiles
[C@H]12C(=O)[C@@H](CN(C2)CCCC)CN(C1)CCCC
Calculated Properties
JChem
Acid pKa
16.111097
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
-1.2157809
LogD (pH = 7.4)
0.873629
Log P
2.5726848
Molar Refractivity
76.3746
Polarizability
30.033888
Polar Surface Area
23.55
Rotatable Bonds
6
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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