Molecule

ID:63243

General Information
Structure
Molecular Formula
C₄H₈N₂O
Molecular Mass
100.11912
Exact Mass
100.06366289
Charge
0
InChI
InChI=1S/C4H8N2O/c5-4(7)3-1-6-2-3/h3,6H,1-2H2,(H2,5,7)
InChIKey
VALZSZJVEFACEZ-UHFFFAOYSA-N
Canonic Smiles
NC(=O)C1CNC1
Isomeric Smiles
C1NCC1C(=O)N
Calculated Properties
JChem
Acid pKa
16.40289
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-4.6592355
LogD (pH = 7.4)
-3.4811285
Log P
-1.5040329
Molar Refractivity
25.3875
Polarizability
10.127871
Polar Surface Area
55.12
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
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Molecule Details
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References
Bioactivity
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