Molecule

ID:116975

General Information
Structure
MolImage
Molecular Formula
C₆H₁₂N₂O
Molecular Mass
128.17228
Exact Mass
128.09496301
Charge
0
InChI
InChI=1S/C6H12N2O/c1-8-4-5(3-7)2-6(8)9/h5H,2-4,7H2,1H3
InChIKey
RYPUQUNUTILSAZ-UHFFFAOYSA-N
Canonic Smiles
NCC1CC(=O)N(C1)C
Isomeric Smiles
N1(C(=O)CC(C1)CN)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-4.5014825
LogD (pH = 7.4)
-3.7771573
Log P
-1.4929641
Molar Refractivity
35.1136
Polarizability
13.794192
Polar Surface Area
46.33
Rotatable Bonds
1
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
No Data Available
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Molecule Details
References
Bioactivity
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