Molecule

ID:50425

General Information
Structure
MolImage
Molecular Formula
C₇H₁₄N₂O₂
Molecular Mass
158.19826
Exact Mass
158.1055277
Charge
0
InChI
InChI=1S/C7H14N2O2/c1-11-3-2-9-5-6(8)4-7(9)10/h6H,2-5,8H2,1H3
InChIKey
NIDNXTYMDVWDLG-UHFFFAOYSA-N
Canonic Smiles
COCCN1CC(CC1=O)N
Isomeric Smiles
C1(=O)N(CC(C1)N)CCOC
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-4.3145146
LogD (pH = 7.4)
-2.9543161
Log P
-1.4287866
Molar Refractivity
41.0631
Polarizability
16.35
Polar Surface Area
55.56
Rotatable Bonds
3
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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