Molecule

ID:60711

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₆N₄O₂
Molecular Mass
260.29174
Exact Mass
260.12732577
Charge
0
InChI
InChI=1S/C13H16N4O2/c1-4-19-13(18)10-9-14-12-5-7-15-17(12)11(10)6-8-16(2)3/h5-9H,4H2,1-3H3/b8-6+
InChIKey
YNSCSRJISOVTFF-SOFGYWHQSA-N
Canonic Smiles
CCOC(=O)c1cnc2n(c1/C=C/N(C)C)ncc2
Isomeric Smiles
c1(c(cnc2n1ncc2)C(=O)OCC)/C=C/N(C)C
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
-0.15074322
LogD (pH = 7.4)
1.1399125
Log P
1.2579957
Molar Refractivity
83.8158
Polarizability
27.00801
Polar Surface Area
59.73
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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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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