Molecule

ID:56035

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₁N₃O₂
Molecular Mass
205.21324
Exact Mass
205.08512661
Charge
0
InChI
InChI=1S/C10H11N3O2/c1-6-9(14)13(10(15)12-6)8-4-2-3-7(11)5-8/h2-6H,11H2,1H3,(H,12,15)
InChIKey
FJNOJYOOGZEWFG-UHFFFAOYSA-N
Canonic Smiles
Nc1cccc(c1)N1C(=O)NC(C1=O)C
Isomeric Smiles
N1(C(=O)NC(C1=O)C)c1cc(N)ccc1
Calculated Properties
JChem
Acid pKa
13.21218
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
0.16646288
LogD (pH = 7.4)
0.17119104
Log P
0.17125234
Molar Refractivity
54.9147
Polarizability
20.539064
Polar Surface Area
75.43
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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