Molecule

ID:10948

General Information
Structure
MolImage
Molecular Formula
C₉H₂₀N₂O₂
Molecular Mass
188.2673
Exact Mass
188.15247789
Charge
0
InChI
InChI=1S/C9H20N2O2/c1-11(2)8-4-6-10-7-5-9(12)13-3/h10H,4-8H2,1-3H3
InChIKey
WQKFFWPHFBTKLF-UHFFFAOYSA-N
Canonic Smiles
COC(=O)CCNCCCN(C)C
Isomeric Smiles
C(=O)(CCNCCCN(C)C)OC
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-5.894066
LogD (pH = 7.4)
-3.4046757
Log P
-0.2533841
Molar Refractivity
53.131
Polarizability
21.12485
Polar Surface Area
41.57
Rotatable Bonds
8
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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