Molecule

ID:61051

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₁N₃O₂
Molecular Mass
205.21324
Exact Mass
205.08512661
Charge
0
InChI
InChI=1S/C10H11N3O2/c1-3-15-10(14)8-6-11-9-4-5-12-13(9)7(8)2/h4-6H,3H2,1-2H3
InChIKey
MMBKYLRFLOZGEC-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1cnc2n(c1C)ncc2
Isomeric Smiles
c1(c(n2c(nc1)ccn2)C)C(=O)OCC
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.2127796
LogD (pH = 7.4)
1.2128184
Log P
1.2128189
Molar Refractivity
65.6972
Polarizability
20.455875
Polar Surface Area
56.49
Rotatable Bonds
3
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
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References
Bioactivity
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