Molecule
ID:80172
General Information
Molecular Formula
C₁₀H₁₂Cl₂N₄O₃
Molecular Mass
307.13328
Exact Mass
306.02864562
Charge
0
InChI
InChI=1S/C10H12Cl2N4O3/c1-14-7-6(8(18)15(2)10(14)19)16(9(12)13-7)4-5(17)3-11/h5,17H,3-4H2,1-2H3
InChIKey
XTTWWNBOBKCDBD-UHFFFAOYSA-N
Canonic Smiles
ClCC(Cn1c(Cl)nc2c1c(=O)n(C)c(=O)n2C)O
Isomeric Smiles
n1c(Cl)n(c2c1n(c(=O)n(c2=O)C)C)CC(O)CCl
Calculated Properties
JChem
Acid pKa
13.888504
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
0.40252364
LogD (pH = 7.4)
0.4025235
Log P
0.40252364
Molar Refractivity
70.1629
Polarizability
26.171455
Polar Surface Area
78.67
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
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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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