Molecule
ID:121945
General Information
Molecular Formula
C₁₀H₁₃ClN₄O
Molecular Mass
240.68942
Exact Mass
240.07778874
Charge
0
InChI
InChI=1S/C10H13ClN4O/c1-3-15(4-2)7-5-6(11)9-10(8(7)12)14-16-13-9/h5H,3-4,12H2,1-2H3
InChIKey
GIVHJKBAXPVFGA-UHFFFAOYSA-N
Canonic Smiles
CCN(c1cc(Cl)c2c(c1N)non2)CC
Isomeric Smiles
c12c(c(cc(c1N)N(CC)CC)Cl)non2
Calculated Properties
JChem
Acid pKa
15.421954
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
1.9200338
LogD (pH = 7.4)
1.9200468
Log P
1.920047
Molar Refractivity
65.5658
Polarizability
24.515411
Polar Surface Area
68.18
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
No Data Available
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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