Molecule

ID:40854

General Information
Structure
MolImage
Molecular Formula
C₉H₁₁N₃O₂
Molecular Mass
193.20254
Exact Mass
193.08512661
Charge
0
InChI
InChI=1S/C9H11N3O2/c13-12(14)8-3-4-9(10-7-8)11-5-1-2-6-11/h3-4,7H,1-2,5-6H2
InChIKey
URFBPCUSVFCNSQ-UHFFFAOYSA-N
Canonic Smiles
[O-][N+](=O)c1ccc(nc1)N1CCCC1
Isomeric Smiles
c1(cnc(cc1)N1CCCC1)[N+](=O)[O-]
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
1.8036566
LogD (pH = 7.4)
1.8038539
Log P
1.8038565
Molar Refractivity
53.5089
Polarizability
19.110682
Polar Surface Area
61.95
Rotatable Bonds
2
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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