4-amino-N-[(Z)-(3-iodophenyl)methylideneamino]-1,2,5-oxadiazole-3-carboxamide

Formula:C10H8N5O2I Mutagenic:none Tumorigenic:none Reproductive Effective:none 4-amino-N-[(Z)-(3-iodophenyl)methylideneamino]-1,2,5-oxadiazole-3-carboxamide is a drug-like molecule.

MolName4-amino-N-[(Z)-(3-iodophenyl)methylideneamino]-1,2,5-oxadiazole-3-carboxamide
MolecularFormulaC10H8N5O2I
SmilesNc1nonc1C(N/N=C\c1cccc(I)c1)=O
InChIInChI=1S/C10H8IN5O2/c11-7-3-1-2-6(4-7)5-13-14-10(17)8-9(12)16-18-15-8/h1-5H,(H2,12,16)(H,14,17)
InChIKOAVUOGVMGRACCQ-UHFFFAOYSA-N
TotalMolweight357.107
Molweight357.107
MonoisotopicMass356.972273
CLogP1.8781
CLogS-3.605
H Acceptors7
H Donors2
TotalSurfaceArea209
Relative PSA0.41785
PolarSurfaceArea106.4
Druglikeness6.6787
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functionsacyl-hydrazone; imine/hydrazone of aldehyde
Shape Index0.61111
Fragments1
Non HAtoms18
NonCHAtoms8
Electronegative Atoms8
Rotatable Bond3
Rings Closures2
Small Rings2
Aromatic Rings2
Aromatic Atoms11
Aromatic Nitrogens2
StereoCon

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