Molecule

ID:62733

General Information
Structure
MolImage
Molecular Formula
C₇H₁₄N₂O₂
Molecular Mass
158.19826
Exact Mass
158.1055277
Charge
0
InChI
InChI=1S/C7H14N2O2/c1-8-7(10)6-4-9-2-3-11-5-6/h6,9H,2-5H2,1H3,(H,8,10)
InChIKey
LLORHXLUYBZPCR-UHFFFAOYSA-N
Canonic Smiles
CNC(=O)C1CNCCOC1
Isomeric Smiles
C(=O)(C1CNCCOC1)NC
Calculated Properties
JChem
Acid pKa
15.939681
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-4.3731
LogD (pH = 7.4)
-2.9138086
Log P
-1.3273323
Molar Refractivity
41.3277
Polarizability
16.35
Polar Surface Area
50.36
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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