Molecule

ID:129004

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₈N₄O₂
Molecular Mass
238.28622
Exact Mass
238.14297584
Charge
0
InChI
InChI=1S/C11H18N4O2/c1-7-8(2)12-10(14(3)4)13-9(7)17-11(16)15(5)6/h1-6H3
InChIKey
YFGYUFNIOHWBOB-UHFFFAOYSA-N
Canonic Smiles
CN(C(=O)Oc1nc(nc(c1C)C)N(C)C)C
Isomeric Smiles
Cc1c(nc(nc1OC(=O)N(C)C)N(C)C)C
Calculated Properties
JChem
LogD (pH = 7.4)
1.80
LogD (pH = 5.5)
1.68
Log P
1.80
Rotatable Bonds
3
H Donor
0
H Acceptors
4
Lipinski's Rule of Five
true
Acid pKa
5.00
Polar Surface Area
58.56
Polarizability
25.97
Molar Refractivity
66.65
LOG S
-2.06
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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