Molecule

ID:129438

General Information
Structure
MolImage
Molecular Formula
CH₅N₃O
Molecular Mass
75.0699
Exact Mass
75.0432618
Charge
0
InChI
InChI=1S/CH5N3O/c2-1(5)4-3/h3H2,(H3,2,4,5)
InChIKey
DUIOPKIIICUYRZ-UHFFFAOYSA-N
Canonic Smiles
NNC(=O)N
Isomeric Smiles
C(=O)(N)NN
Calculated Properties
JChem
LogD (pH = 7.4)
-1.66
LogD (pH = 5.5)
-1.66
Log P
-1.66
Rotatable Bonds
0
H Donor
3
H Acceptors
2
Lipinski's Rule of Five
true
Acid pKa
3.09
Polar Surface Area
81.14
Polarizability
6.49
Molar Refractivity
17.63
LOG S
0.51
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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