Molecule

ID:121948

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₁ClN₄O₂
Molecular Mass
254.67294
Exact Mass
254.05705329
Charge
0
InChI
InChI=1S/C10H11ClN4O2/c11-6-5-7(15-1-3-16-4-2-15)8(12)10-9(6)13-17-14-10/h5H,1-4,12H2
InChIKey
JRWLTKVLNIYLIT-UHFFFAOYSA-N
Canonic Smiles
Nc1c(cc(c2c1non2)Cl)N1CCOCC1
Isomeric Smiles
c12c(c(cc(c1N)N1CCOCC1)Cl)non2
Calculated Properties
JChem
Acid pKa
15.395977
H Acceptors
5
H Donor
1
LogD (pH = 5.5)
0.9879301
LogD (pH = 7.4)
0.9879306
Log P
0.98793066
Molar Refractivity
65.1431
Polarizability
24.529188
Polar Surface Area
77.41
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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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