Molecule

ID:84183

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₀ClN₅
Molecular Mass
235.6729
Exact Mass
235.06247303
Charge
0
InChI
InChI=1S/C10H10ClN5/c1-6-8(11)10(16-12)15-9(14-6)7-3-2-4-13-5-7/h2-5H,12H2,1H3,(H,14,15,16)
InChIKey
BKTHMRNUWMHYMS-UHFFFAOYSA-N
Canonic Smiles
NNc1nc(nc(c1Cl)C)c1cccnc1
Isomeric Smiles
n1c(c(c(nc1c1cnccc1)C)Cl)NN
Calculated Properties
JChem
Acid pKa
17.444193
H Acceptors
5
H Donor
2
LogD (pH = 5.5)
1.8246262
LogD (pH = 7.4)
1.8930959
Log P
1.8943062
Molar Refractivity
75.393
Polarizability
24.15074
Polar Surface Area
76.72
Rotatable Bonds
2
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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