3-fluoro-N-[2-[(2Z)-2-[(4-fluorophenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide

Formula:C16H13N3O2F2 Mutagenic:none Tumorigenic:none Reproductive Effective:none 3-fluoro-N-[2-[(2Z)-2-[(4-fluorophenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide is a drug-like molecule.

MolName3-fluoro-N-[2-[(2Z)-2-[(4-fluorophenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide
MolecularFormulaC16H13N3O2F2
SmilesO=C(CNC(c1cccc(F)c1)=O)N/N=C\c(cc1)ccc1F
InChIInChI=1S/C16H13F2N3O2/c17-13-6-4-11(5-7-13)9-20-21-15(22)10-19-16(23)12-2-1-3-14(18)8-12/h1-9H,10H2,(H,19,23)(H,21,22)
InChIKZALODVRXOKDCNY-UHFFFAOYSA-N
TotalMolweight317.294
Molweight317.294
MonoisotopicMass317.097583
CLogP2.4869
CLogS-4.116
H Acceptors5
H Donors2
TotalSurfaceArea242.66
Relative PSA0.24936
PolarSurfaceArea70.56
Druglikeness3.9887
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functionsacyl-hydrazone; imine/hydrazone of aldehyde
Shape Index0.69565
Fragments1
Non HAtoms23
NonCHAtoms7
Electronegative Atoms7
Rotatable Bond5
Rings Closures2
Small Rings2
Aromatic Rings2
Aromatic Atoms12
Sp3Atoms1
Symmetricatoms2
Amides1
StereoCon

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