N-[(Z)-3-[(2Z)-2-[(4-fluorophenyl)methylidene]hydrazinyl]-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]benzamide

Formula:C21H16N3O3F Mutagenic:high Tumorigenic:none Reproductive Effective:none N-[(Z)-3-[(2Z)-2-[(4-fluorophenyl)methylidene]hydrazinyl]-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]benzamide is a drug-like molecule.

MolNameN-[(Z)-3-[(2Z)-2-[(4-fluorophenyl)methylidene]hydrazinyl]-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]benzamide
MolecularFormulaC21H16N3O3F
SmilesO=C(/C(/NC(c1ccccc1)=O)=C/c1ccco1)N/N=C\c(cc1)ccc1F
InChIInChI=1S/C21H16FN3O3/c22-17-10-8-15(9-11-17)14-23-25-21(27)19(13-18-7-4-12-28-18)24-20(26)16-5-2-1-3-6-16/h1-14H,(H,24,26)(H,25,27)
InChIKOIZZYKQHGYBYPG-UHFFFAOYSA-N
TotalMolweight377.374
Molweight377.374
MonoisotopicMass377.11757
CLogP4.1078
CLogS-5.462
H Acceptors6
H Donors2
TotalSurfaceArea296.71
Relative PSA0.25149
PolarSurfaceArea83.7
Druglikeness4.6297
Mutagenichigh
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functionsacyl-hydrazone; imine/hydrazone of aldehyde
Shape Index0.57143
Fragments1
Non HAtoms28
NonCHAtoms7
Electronegative Atoms7
Rotatable Bond6
Rings Closures3
Small Rings3
Aromatic Rings3
Aromatic Atoms17
Symmetricatoms4
Amides1
StereoCon

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