N,N'-bis[(Z)-(3-iodophenyl)methylideneamino]oxamide

Formula:C16H12N4O2I2 Mutagenic:none Tumorigenic:none Reproductive Effective:none N,N'-bis[(Z)-(3-iodophenyl)methylideneamino]oxamide is not a drug-like molecule.

MolNameN,N'-bis[(Z)-(3-iodophenyl)methylideneamino]oxamide
MolecularFormulaC16H12N4O2I2
SmilesO=C(C(N/N=C\c1cccc(I)c1)=O)N/N=C\c1cc(I)ccc1
InChIInChI=1S/C16H12I2N4O2/c17-13-5-1-3-11(7-13)9-19-21-15(23)16(24)22-20-10-12-4-2-6-14(18)8-12/h1-10H,(H,21,23)(H,22,24)
InChIKMHICUTSADHWZGK-UHFFFAOYSA-N
TotalMolweight546.097
Molweight546.097
MonoisotopicMass545.904972
CLogP3.4126
CLogS-6.15
H Acceptors6
H Donors2
TotalSurfaceArea293.52
Relative PSA0.24537
PolarSurfaceArea82.92
Druglikeness3.7473
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functionsacyl-hydrazone; imine/hydrazone of aldehyde; limit! oxal-diamide
Shape Index0.66667
Fragments1
Non HAtoms24
NonCHAtoms8
Electronegative Atoms8
Rotatable Bond5
Rings Closures2
Small Rings2
Aromatic Rings2
Aromatic Atoms12
Symmetricatoms12
StereoCon

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