Molecule

ID:109583

General Information
Structure
MolImage
Molecular Formula
C₅H₁₂N₂O
Molecular Mass
116.16158
Exact Mass
116.09496301
Charge
0
InChI
InChI=1S/C5H12N2O/c1-2-3-4-7-5(6)8/h2-4H2,1H3,(H3,6,7,8)
InChIKey
CNWSQCLBDWYLAN-UHFFFAOYSA-N
Canonic Smiles
CCCCNC(=O)N
Isomeric Smiles
CCCCNC(=O)N
Calculated Properties
JChem
Acid pKa
15.913907
H Acceptors
1
H Donor
2
LogD (pH = 5.5)
0.1837412
LogD (pH = 7.4)
0.18374121
Log P
0.18374121
Molar Refractivity
31.9129
Polarizability
12.299049
Polar Surface Area
55.12
Rotatable Bonds
3
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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