Molecule
ID:120640
General Information
Molecular Formula
C₁₁H₁₄N₄O₃
Molecular Mass
250.25386
Exact Mass
250.10659033
Charge
0
InChI
InChI=1S/C11H14N4O3/c1-17-7-3-5-6(4-8(7)18-2)14-10(9(5)12)11(16)15-13/h3-4,14H,12-13H2,1-2H3,(H,15,16)
InChIKey
GNGHFWNKOXCBGI-UHFFFAOYSA-N
Canonic Smiles
COc1cc2[nH]c(c(c2cc1OC)N)C(=O)NN
Isomeric Smiles
c1([nH]c2c(c1N)cc(c(c2)OC)OC)C(=O)NN
Calculated Properties
JChem
Acid pKa
15.337879
H Acceptors
5
H Donor
4
LogD (pH = 5.5)
0.05047206
LogD (pH = 7.4)
0.051886976
Log P
0.051905047
Molar Refractivity
68.2113
Polarizability
25.98328
Polar Surface Area
115.39
Rotatable Bonds
3
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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