Molecule

ID:33943

General Information
Structure
MolImage
Molecular Formula
C₁₀H₉N₃O₂
Molecular Mass
203.19736
Exact Mass
203.06947654
Charge
0
InChI
InChI=1S/C10H9N3O2/c11-6-7-5-9(13(14)15)3-4-10(7)12-8-1-2-8/h3-5,8,12H,1-2H2
InChIKey
GLERGCQGOPMYNX-UHFFFAOYSA-N
Canonic Smiles
N#Cc1cc(ccc1NC1CC1)[N+](=O)[O-]
Isomeric Smiles
[N+](=O)(c1cc(c(NC2CC2)cc1)C#N)[O-]
Calculated Properties
JChem
Acid pKa
13.444999
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
1.7076689
LogD (pH = 7.4)
1.7076689
Log P
1.7076689
Molar Refractivity
56.5093
Polarizability
19.991482
Polar Surface Area
81.64
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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