Molecule
ID:124195
General Information
Molecular Formula
C₁₀H₁₁N₃O₂
Molecular Mass
205.21324
Exact Mass
205.08512661
Charge
0
InChI
InChI=1S/C10H11N3O2/c1-6-12-13-10(15-6)8-5-7(11)3-4-9(8)14-2/h3-5H,11H2,1-2H3
InChIKey
MHZFJWMRNDGLAD-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1c1nnc(o1)C)N
Isomeric Smiles
c1(nnc(o1)C)c1c(ccc(c1)N)OC
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
0.10445243
LogD (pH = 7.4)
0.11577697
Log P
0.1159233
Molar Refractivity
67.6895
Polarizability
21.152975
Polar Surface Area
74.17
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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