1-N,4-N-bis[(Z)-furan-2-ylmethylideneamino]benzene-1,4-dicarboxamide

Formula:C18H14N4O4 Mutagenic:high Tumorigenic:none Reproductive Effective:none 1-N,4-N-bis[(Z)-furan-2-ylmethylideneamino]benzene-1,4-dicarboxamide is a drug-like molecule.

MolName1-N,4-N-bis[(Z)-furan-2-ylmethylideneamino]benzene-1,4-dicarboxamide
MolecularFormulaC18H14N4O4
SmilesO=C(c(cc1)ccc1C(N/N=C\c1ccco1)=O)N/N=C\c1ccco1
InChIInChI=1S/C18H14N4O4/c23-17(21-19-11-15-3-1-9-25-15)13-5-7-14(8-6-13)18(24)22-20-12-16-4-2-10-26-16/h1-12H,(H,21,23)(H,22,24)
InChIKGGFHSXUDDTWSMV-UHFFFAOYSA-N
TotalMolweight350.333
Molweight350.333
MonoisotopicMass350.101506
CLogP3.121
CLogS-5.19
H Acceptors8
H Donors2
TotalSurfaceArea280.1
Relative PSA0.35787
PolarSurfaceArea109.2
Druglikeness4.1354
Mutagenichigh
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functionsacyl-hydrazone; imine/hydrazone of aldehyde
Shape Index0.69231
Fragments1
Non HAtoms26
NonCHAtoms8
Electronegative Atoms8
Rotatable Bond6
Rings Closures3
Small Rings3
Aromatic Rings3
Aromatic Atoms16
Symmetricatoms14
StereoCon

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