Molecule

ID:291234

General Information
Structure
MolImage
Molecular Formula
C₉H₁₁N₃O₂
Molecular Mass
193.20254
Exact Mass
193.08512661
Charge
0
InChI
InChI=1S/C9H11N3O2/c1-11(2)6-4-8-3-5-10-7-9(8)12(13)14/h3-7H,1-2H3/b6-4+
InChIKey
YYUSZTQRCCAPDJ-GQCTYLIASA-N
Canonic Smiles
CN(/C=C/c1ccncc1[N+](=O)[O-])C
Isomeric Smiles
O=[N+](c1c(/C=C/N(C)C)ccnc1)[O-]
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
-0.51624906
LogD (pH = 7.4)
0.8665163
Log P
1.0202945
Molar Refractivity
53.6124
Polarizability
19.645544
Polar Surface Area
59.27
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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