Molecule

ID:43735

General Information
Structure
MolImage
Molecular Formula
C₃H₄N₂O
Molecular Mass
84.07666
Exact Mass
84.03236276
Charge
0
InChI
InChI=1S/C3H4N2O/c4-3-5-1-2-6-3/h1-2H,(H2,4,5)
InChIKey
ACTKAGSPIFDCMF-UHFFFAOYSA-N
Canonic Smiles
Nc1ncco1
Isomeric Smiles
c1(ncco1)N
Calculated Properties
JChem
Acid pKa
14.159915
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.23030771
LogD (pH = 7.4)
-0.22954851
Log P
-0.22953875
Molar Refractivity
20.9411
Polarizability
7.516387
Polar Surface Area
52.05
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
References
Bioactivity
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