Molecule

ID:34539

General Information
Structure
MolImage
Molecular Formula
C₆H₁₂N₂O
Molecular Mass
128.17228
Exact Mass
128.09496301
Charge
0
InChI
InChI=1S/C6H12N2O/c9-6-8-4-1-2-7-3-5-8/h6-7H,1-5H2
InChIKey
RNNVQNMOFQXXTH-UHFFFAOYSA-N
Canonic Smiles
O=CN1CCNCCC1
Isomeric Smiles
C1CCN(CCN1)C=O
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-3.9870348
LogD (pH = 7.4)
-2.3544912
Log P
-1.1076035
Molar Refractivity
35.3896
Polarizability
13.794192
Polar Surface Area
32.34
Rotatable Bonds
0
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
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References
Bioactivity
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