Molecule

ID:68091

General Information
Structure
MolImage
Molecular Formula
C₆H₇N₃O₂
Molecular Mass
153.13868
Exact Mass
153.05382648
Charge
0
InChI
InChI=1S/C6H7N3O2/c7-5-2-1-4(9(10)11)3-6(5)8/h1-3H,7-8H2
InChIKey
RAUWPNXIALNKQM-UHFFFAOYSA-N
Canonic Smiles
[O-][N+](=O)c1ccc(c(c1)N)N
Isomeric Smiles
c1(c(cc(cc1)[N+](=O)[O-])N)N
Calculated Properties
JChem
LogD (pH = 7.4)
0.26
LogD (pH = 5.5)
0.26
Log P
0.26
Rotatable Bonds
1
H Donor
2
H Acceptors
4
Lipinski's Rule of Five
true
Acid pKa
2.14
Polar Surface Area
95.18
Polarizability
14.06
Molar Refractivity
41.78
LOG S
-1.77
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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