Molecule

ID:16059

General Information
Structure
MolImage
Molecular Formula
C₆H₁₂N₂O
Molecular Mass
128.17228
Exact Mass
128.09496301
Charge
0
InChI
InChI=1S/C6H12N2O/c7-3-5-8-4-1-2-6(8)9/h1-5,7H2
InChIKey
HHEKNWQXFVOUNJ-UHFFFAOYSA-N
Canonic Smiles
NCCN1CCCC1=O
Isomeric Smiles
N1(C(=O)CCC1)CCN
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-4.093186
LogD (pH = 7.4)
-2.8935287
Log P
-1.152917
Molar Refractivity
35.1044
Polarizability
13.794192
Polar Surface Area
46.33
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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