Molecule

ID:24221

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₈Cl₂N₄O
Molecular Mass
293.19282
Exact Mass
292.08576658
Charge
0
InChI
InChI=1S/C11H16N4O.2ClH/c1-13(2)8-6-10-9(5-7(8)12)14(3)11(16)15(10)4;;/h5-6H,12H2,1-4H3;2*1H
InChIKey
FARKPQXSEWWTSD-UHFFFAOYSA-N
Canonic Smiles
CN(c1cc2c(cc1N)n(c(=O)n2C)C)C.Cl.Cl
Isomeric Smiles
c12c(n(c(=O)n2C)C)cc(c(c1)N(C)C)N.Cl.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.51048034
LogD (pH = 7.4)
0.51447487
Log P
0.51452607
Molar Refractivity
65.3556
Polarizability
23.410212
Polar Surface Area
52.81
Rotatable Bonds
1
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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