Molecule

ID:129124

General Information
Structure
Molecular Formula
C₉H₂₀N₂O₂
Molecular Mass
188.2673
Exact Mass
188.15247789
Charge
0
InChI
InChI=1S/C9H20N2O2/c1-4-8-13-9(12)10-6-5-7-11(2)3/h4-8H2,1-3H3,(H,10,12)
InChIKey
WZZLDXDUQPOXNW-UHFFFAOYSA-N
Canonic Smiles
CCCOC(=O)NCCCN(C)C
Isomeric Smiles
O=C(OCCC)NCCCN(C)C
Calculated Properties
JChem
LogD (pH = 7.4)
-1.12
LogD (pH = 5.5)
-2.55
Log P
0.77
Rotatable Bonds
7
H Donor
1
H Acceptors
2
Lipinski's Rule of Five
true
Acid pKa
9.30
Polar Surface Area
41.57
Polarizability
22.33
Molar Refractivity
53.14
LOG S
-0.60
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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