2-(4,5-dichloroimidazol-1-yl)-N'-hydroxyethanimidamide

Formula:C5H6N4OCl2 Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-(4,5-dichloroimidazol-1-yl)-N'-hydroxyethanimidamide is a drug-like molecule.

MolName2-(4,5-dichloroimidazol-1-yl)-N'-hydroxyethanimidamide
MolecularFormulaC5H6N4OCl2
SmilesN/C(/Cn(cn1)c(Cl)c1Cl)=N/O
InChIInChI=1S/C5H6Cl2N4O/c6-4-5(7)11(2-9-4)1-3(8)10-12/h2,12H,1H2,(H2,8,10)
InChIKUPBRBPFKJJVGFA-UHFFFAOYSA-N
TotalMolweight209.036
Molweight209.036
MonoisotopicMass207.991865
CLogP0.5627
CLogS-1.023
H Acceptors5
H Donors2
TotalSurfaceArea143.66
Relative PSA0.40178
PolarSurfaceArea76.43
Druglikeness2.4965
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functions1,2-dihalo-alkene
Shape Index0.66667
Fragments1
Non HAtoms12
NonCHAtoms7
Electronegative Atoms7
Rotatable Bond2
Rings Closures1
Small Rings1
Aromatic Rings1
Aromatic Atoms5
Sp3Atoms2
Aromatic Nitrogens2
BasicNitrogens1
StereoCon

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