Molecule

ID:23830

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₁N₃O₂
Molecular Mass
205.21324
Exact Mass
205.08512661
Charge
0
InChI
InChI=1S/C10H11N3O2/c1-13(15-2)10(14)8-5-7-3-4-11-9(7)12-6-8/h3-6H,1-2H3,(H,11,12)
InChIKey
HGYNJNSMXQICAI-UHFFFAOYSA-N
Canonic Smiles
CON(C(=O)c1cnc2c(c1)cc[nH]2)C
Isomeric Smiles
c1(cnc2c(c1)cc[nH]2)C(=O)N(C)OC
Calculated Properties
JChem
Acid pKa
14.570139
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.6701497
LogD (pH = 7.4)
0.6708834
Log P
0.6708928
Molar Refractivity
55.1622
Polarizability
21.197323
Polar Surface Area
58.22
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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