Molecule

ID:81567

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₀ClN₅O₂
Molecular Mass
267.6717
Exact Mass
267.05230227
Charge
0
InChI
InChI=1S/C10H10ClN5O2/c1-2-18-10(17)6-5-16(15-9(6)12)8-4-3-7(11)13-14-8/h3-5H,2H2,1H3,(H2,12,15)
InChIKey
LKVSDGQOKPJSPF-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1cn(nc1N)c1ccc(nn1)Cl
Isomeric Smiles
n1(c2ccc(nn2)Cl)cc(c(n1)N)C(=O)OCC
Calculated Properties
JChem
Acid pKa
18.108662
H Acceptors
5
H Donor
1
LogD (pH = 5.5)
2.055999
LogD (pH = 7.4)
2.0561163
Log P
2.0561178
Molar Refractivity
70.0935
Polarizability
24.449173
Polar Surface Area
95.92
Rotatable Bonds
4
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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