Molecule

ID:121947

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₁ClN₄O
Molecular Mass
238.67354
Exact Mass
238.06213867
Charge
0
InChI
InChI=1S/C10H11ClN4O/c11-6-5-7(15-3-1-2-4-15)8(12)10-9(6)13-16-14-10/h5H,1-4,12H2
InChIKey
BFOMXSQDGCECRY-UHFFFAOYSA-N
Canonic Smiles
Nc1c(cc(c2c1non2)Cl)N1CCCC1
Isomeric Smiles
c12c(c(cc(c1N)N1CCCC1)Cl)non2
Calculated Properties
JChem
Acid pKa
15.419173
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
1.6122254
LogD (pH = 7.4)
1.6122285
Log P
1.6122285
Molar Refractivity
63.6096
Polarizability
23.797625
Polar Surface Area
68.18
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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