Molecule

ID:132616

General Information
Structure
MolImage
Molecular Formula
C₅H₁₂N₂O
Molecular Mass
116.16158
Exact Mass
116.09496301
Charge
0
InChI
InChI=1S/C5H12N2O/c1-3-4-5-7(2)6-8/h3-5H2,1-2H3
InChIKey
PKTSCJXWLVREKX-UHFFFAOYSA-N
Canonic Smiles
CN(N=O)CCCC
Isomeric Smiles
CCCCN(C)N=O
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.3618871
LogD (pH = 7.4)
1.362505
Log P
1.3625128
Molar Refractivity
33.9241
Polarizability
12.418576
Polar Surface Area
32.67
Rotatable Bonds
4
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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