4-amino-N'-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-1,2,5-oxadiazole-3-carboximidamide

Formula:C10H8N6OClF Mutagenic:none Tumorigenic:none Reproductive Effective:none 4-amino-N'-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-1,2,5-oxadiazole-3-carboximidamide is a drug-like molecule.

MolName4-amino-N'-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-1,2,5-oxadiazole-3-carboximidamide
MolecularFormulaC10H8N6OClF
SmilesN/C(/c1nonc1N)=N/N=C\c(c(F)ccc1)c1Cl
InChIInChI=1S/C10H8ClFN6O/c11-6-2-1-3-7(12)5(6)4-15-16-9(13)8-10(14)18-19-17-8/h1-4H,(H2,13,16)(H2,14,18)
InChIKLCKPBDPORJLVCU-UHFFFAOYSA-N
TotalMolweight282.666
Molweight282.666
MonoisotopicMass282.043214
CLogP2.8858
CLogS-3.815
H Acceptors7
H Donors2
TotalSurfaceArea206.77
Relative PSA0.43338
PolarSurfaceArea115.68
Druglikeness1.234
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functionsdimethylene-hydrazine; imine/hydrazone of aldehyde
Shape Index0.57895
Fragments1
Non HAtoms19
NonCHAtoms9
Electronegative Atoms9
Rotatable Bond3
Rings Closures2
Small Rings2
Aromatic Rings2
Aromatic Atoms11
Aromatic Nitrogens2
StereoCon

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