Molecule

ID:119910

General Information
Structure
MolImage
Molecular Formula
C₁₃H₂₆N₂O
Molecular Mass
226.35834
Exact Mass
226.20451346
Charge
0
InChI
InChI=1S/C13H26N2O/c1-10(2)5-15-8-12(3)6-14-7-13(4,9-15)11(12)16/h10-11,14,16H,5-9H2,1-4H3/t11?,12-,13+
InChIKey
QZMMHOCDNJVLGY-YHWZYXNKSA-N
Canonic Smiles
CC(CN1C[C@]2(C)CNC[C@](C1)(C2O)C)C
Isomeric Smiles
[C@@]12(C([C@](CN(C1)CC(C)C)(CNC2)C)O)C
Calculated Properties
JChem
Acid pKa
14.171017
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-4.5479884
LogD (pH = 7.4)
-2.1176507
Log P
0.9786159
Molar Refractivity
66.6954
Polarizability
26.893944
Polar Surface Area
35.5
Rotatable Bonds
2
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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