Molecule

ID:31726

General Information
Structure
MolImage
Molecular Formula
C₁₁H₂₂N₂O
Molecular Mass
198.30518
Exact Mass
198.17321333
Charge
0
InChI
InChI=1S/C11H22N2O/c1-4-13-7-10(2)5-12-6-11(3,8-13)9(10)14/h9,12,14H,4-8H2,1-3H3
InChIKey
FZZHCHHISSHTAE-UHFFFAOYSA-N
Canonic Smiles
CCN1CC2(C)CNCC(C1)(C2O)C
Isomeric Smiles
C12(C(C(CN(C1)CC)(CNC2)C)O)C
Calculated Properties
JChem
Acid pKa
14.170984
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-5.045964
LogD (pH = 7.4)
-2.5807283
Log P
0.09112065
Molar Refractivity
57.6998
Polarizability
23.206133
Polar Surface Area
35.5
Rotatable Bonds
1
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
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References
Bioactivity
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