Molecule

ID:115827

General Information
Structure
MolImage
Molecular Formula
C₇H₁₄N₂O₂
Molecular Mass
158.19826
Exact Mass
158.1055277
Charge
0
InChI
InChI=1S/C7H14N2O2/c1-11-9-7(10)6-2-4-8-5-3-6/h6,8H,2-5H2,1H3,(H,9,10)
InChIKey
KGIYEIDDSYRVMA-UHFFFAOYSA-N
Canonic Smiles
CONC(=O)C1CCNCC1
Isomeric Smiles
C(=O)(NOC)C1CCNCC1
Calculated Properties
JChem
Acid pKa
9.380788
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-3.7713854
LogD (pH = 7.4)
-3.0782957
Log P
-1.3317192
Molar Refractivity
41.1444
Polarizability
16.35
Polar Surface Area
50.36
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
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Molecule Details
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References
Bioactivity
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