Molecule

ID:83107

General Information
Structure
MolImage
Molecular Formula
CH₆N₄O
Molecular Mass
90.08454
Exact Mass
90.05416083
Charge
0
InChI
InChI=1S/CH6N4O/c2-4-1(6)5-3/h2-3H2,(H2,4,5,6)
InChIKey
XEVRDFDBXJMZFG-UHFFFAOYSA-N
Canonic Smiles
NNC(=O)NN
Isomeric Smiles
O=C(NN)NN
Calculated Properties
JChem
LogD (pH = 7.4)
-1.96
LogD (pH = 5.5)
-1.96
Log P
-1.96
Rotatable Bonds
0
H Donor
4
H Acceptors
3
Lipinski's Rule of Five
true
Acid pKa
3.05
Polar Surface Area
93.17
Polarizability
7.93
Molar Refractivity
22.11
LOG S
0.47
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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