Molecule

ID:61197

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₂N₄O₂
Molecular Mass
220.22788
Exact Mass
220.09602564
Charge
0
InChI
InChI=1S/C10H12N4O2/c1-6-8(7(2)15)4-11-10-12-9(5-16-3)13-14(6)10/h4H,5H2,1-3H3
InChIKey
WHGADUULBTXXOE-UHFFFAOYSA-N
Canonic Smiles
COCc1nn2c(n1)ncc(c2C)C(=O)C
Isomeric Smiles
n1c(nc2n1c(c(cn2)C(=O)C)C)COC
Calculated Properties
JChem
Acid pKa
15.408814
H Acceptors
5
H Donor
0
LogD (pH = 5.5)
0.30040064
LogD (pH = 7.4)
0.30040076
Log P
0.30040076
Molar Refractivity
70.2352
Polarizability
21.460217
Polar Surface Area
69.38
Rotatable Bonds
3
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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