Molecule

ID:27276

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₁N₃O
Molecular Mass
189.21384
Exact Mass
189.09021199
Charge
0
InChI
InChI=1S/C10H11N3O/c1-13-6-8(10(14)12-11)7-4-2-3-5-9(7)13/h2-6H,11H2,1H3,(H,12,14)
InChIKey
KMYZDVOJRUTMEA-UHFFFAOYSA-N
Canonic Smiles
NNC(=O)c1cn(c2c1cccc2)C
Isomeric Smiles
c1(cn(c2c1cccc2)C)C(=O)NN
Calculated Properties
JChem
Acid pKa
14.640441
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
0.84904367
LogD (pH = 7.4)
0.8498383
Log P
0.84984845
Molar Refractivity
55.6037
Polarizability
21.562628
Polar Surface Area
60.05
Rotatable Bonds
1
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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