Molecule

ID:70633

General Information
Structure
MolImage
Molecular Formula
C₃H₄N₂O
Molecular Mass
84.07666
Exact Mass
84.03236276
Charge
0
InChI
InChI=1S/C3H4N2O/c4-2-1-3(5)6/h1H2,(H2,5,6)
InChIKey
DGJMPUGMZIKDRO-UHFFFAOYSA-N
Canonic Smiles
NC(=O)CC#N
Isomeric Smiles
C(=O)(CC#N)N
Calculated Properties
JChem
Acid pKa
8.527349
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.0804565
LogD (pH = 7.4)
-1.106448
Log P
-1.080111
Molar Refractivity
19.7893
Polarizability
7.3931203
Polar Surface Area
66.88
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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