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3-fluoro-N-[(Z)-[5-[2-(naphthalen-2-ylamino)-2-oxoethyl]sulfanylfuran-2-yl]methylideneamino]benzamide

Formula:C24H18N3O3FS Mutagenic:high Tumorigenic:high Reproductive Effective:none 3-fluoro-N-[(Z)-[5-[2-(naphthalen-2-ylamino)-2-oxoethyl]sulfanylfuran-2-yl]methylideneamino]benzamide is not a drug-like molecule.
MolName3-fluoro-N-[(Z)-[5-[2-(naphthalen-2-ylamino)-2-oxoethyl]sulfanylfuran-2-yl]methylideneamino]benzamide
MolecularFormulaC24H18N3O3FS
SmilesO=C(CSc1ccc(/C=N\NC(c2cc(F)ccc2)=O)o1)Nc1cc2ccccc2cc1
InChIInChI=1S/C24H18FN3O3S/c25-19-7-3-6-18(12-19)24(30)28-26-14-21-10-11-23(31-21)32-15-22(29)27-20-9-8-16-4-1-2-5-17(16)13-20/h1-14H,15H2,(H,27,29)(H,28,30)
InChIKUJHRZJVBBCYEER-UHFFFAOYSA-N
TotalMolweight447.489
Molweight447.489
MonoisotopicMass447.10529
CLogP5.1432
CLogS-7.14
H Acceptors6
H Donors2
TotalSurfaceArea337.85
Relative PSA0.27264
PolarSurfaceArea109
Druglikeness5.8855
Mutagenichigh
Tumorigenichigh
Reproductive Effectivenone
Irritantnone
Nasty Functionsacyl-hydrazone; imine/hydrazone of aldehyde
Shape Index0.65625
Fragments1
Non HAtoms32
NonCHAtoms8
Electronegative Atoms8
Rotatable Bond7
Rings Closures4
Small Rings4
Aromatic Rings4
Aromatic Atoms21
Sp3Atoms2
Amides1
StereoCon

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