Molecule

ID:28489

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₆N₄O₃
Molecular Mass
264.28044
Exact Mass
264.12224039
Charge
0
InChI
InChI=1S/C12H16N4O3/c1-4-16-11(17)7-5-9(18-2)10(19-3)6-8(7)14-12(16)15-13/h5-6H,4,13H2,1-3H3,(H,14,15)
InChIKey
VMGMVARCASDBOZ-UHFFFAOYSA-N
Canonic Smiles
COc1cc2c(cc1OC)nc(n(c2=O)CC)NN
Isomeric Smiles
n1(c(=O)c2c(nc1NN)cc(c(c2)OC)OC)CC
Calculated Properties
JChem
H Acceptors
6
H Donor
2
LogD (pH = 5.5)
0.39431366
LogD (pH = 7.4)
0.5286276
Log P
0.5305608
Molar Refractivity
83.7373
Polarizability
26.319544
Polar Surface Area
89.18
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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