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1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-5-(phenylsulfanylmethyl)triazole-4-carboxamide

Formula:C19H14N8O2ClFS Mutagenic:none Tumorigenic:none Reproductive Effective:none 1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-5-(phenylsulfanylmethyl)triazole-4-carboxamide is a drug-like molecule.
MolName1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-5-(phenylsulfanylmethyl)triazole-4-carboxamide
MolecularFormulaC19H14N8O2ClFS
SmilesNc1nonc1-n1nnc(C(N/N=C\c(c(F)ccc2)c2Cl)=O)c1CSc1ccccc1
InChIInChI=1S/C19H14ClFN8O2S/c20-13-7-4-8-14(21)12(13)9-23-25-19(30)16-15(10-32-11-5-2-1-3-6-11)29(28-24-16)18-17(22)26-31-27-18/h1-9H,10H2,(H2,22,26)(H,25,30)
InChIKSLXVDHWPTYNGSA-UHFFFAOYSA-N
TotalMolweight472.891
Molweight472.891
MonoisotopicMass472.063297
CLogP4.4176
CLogS-4.931
H Acceptors10
H Donors2
TotalSurfaceArea341.98
Relative PSA0.39075
PolarSurfaceArea162.41
Druglikeness0.95825
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functionsacyl-hydrazone; imine/hydrazone of aldehyde
Shape Index0.5
Fragments1
Non HAtoms32
NonCHAtoms13
Electronegative Atoms13
Rotatable Bond7
Rings Closures4
Small Rings4
Aromatic Rings4
Aromatic Atoms22
Sp3Atoms2
Symmetricatoms2
Aromatic Nitrogens5
StereoCon

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