Molecule

ID:79299

General Information
Structure
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Molecular Formula
C₆H₇N₃O₂
Molecular Mass
153.13868
Exact Mass
153.05382648
Charge
0
InChI
InChI=1S/C6H7N3O2/c7-8-5-3-1-2-4-6(5)9(10)11/h1-4,8H,7H2
InChIKey
FRBUNLLUASHNDJ-UHFFFAOYSA-N
Canonic Smiles
NNc1ccccc1[N+](=O)[O-]
Isomeric Smiles
[N+](=O)(c1c(cccc1)NN)[O-]
Calculated Properties
JChem
Acid pKa
13.937985
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
1.8925923
LogD (pH = 7.4)
1.9540302
Log P
1.9548726
Molar Refractivity
42.0852
Polarizability
14.794445
Polar Surface Area
81.19
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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