N,N'-bis[(Z)-furan-2-ylmethylideneamino]hexanediamide

Formula:C16H18N4O4 Mutagenic:high Tumorigenic:none Reproductive Effective:none N,N'-bis[(Z)-furan-2-ylmethylideneamino]hexanediamide is a drug-like molecule.

MolNameN,N'-bis[(Z)-furan-2-ylmethylideneamino]hexanediamide
MolecularFormulaC16H18N4O4
SmilesO=C(CCCCC(N/N=C\c1ccco1)=O)N/N=C\c1ccco1
InChIInChI=1S/C16H18N4O4/c21-15(19-17-11-13-5-3-9-23-13)7-1-2-8-16(22)20-18-12-14-6-4-10-24-14/h3-6,9-12H,1-2,7-8H2,(H,19,21)(H,20,22)
InChIKDUOJGMBENABMRK-UHFFFAOYSA-N
TotalMolweight330.343
Molweight330.343
MonoisotopicMass330.132806
CLogP2.7334
CLogS-4.562
H Acceptors8
H Donors2
TotalSurfaceArea275.38
Relative PSA0.36401
PolarSurfaceArea109.2
Druglikeness-4.2353
Mutagenichigh
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functionsacyl-hydrazone; imine/hydrazone of aldehyde
Shape Index0.75
Fragments1
Non HAtoms24
NonCHAtoms8
Electronegative Atoms8
Rotatable Bond9
Rings Closures2
Small Rings2
Aromatic Rings2
Aromatic Atoms10
Sp3Atoms4
Symmetricatoms12
StereoCon

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