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

Formula:C16H14N3O3F Mutagenic:none Tumorigenic:none Reproductive Effective:none 3-fluoro-N-[2-[(2Z)-2-[(3-hydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide is a drug-like molecule.

MolName3-fluoro-N-[2-[(2Z)-2-[(3-hydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide
MolecularFormulaC16H14N3O3F
SmilesOc1cccc(/C=N\NC(CNC(c2cccc(F)c2)=O)=O)c1
InChIInChI=1S/C16H14FN3O3/c17-13-5-2-4-12(8-13)16(23)18-10-15(22)20-19-9-11-3-1-6-14(21)7-11/h1-9,21H,10H2,(H,18,23)(H,20,22)
InChIKRCOAIMWPUNSTAQ-UHFFFAOYSA-N
TotalMolweight315.303
Molweight315.303
MonoisotopicMass315.10192
CLogP2.0404
CLogS-3.506
H Acceptors6
H Donors3
TotalSurfaceArea242.66
Relative PSA0.30335
PolarSurfaceArea90.79
Druglikeness3.9706
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functionsacyl-hydrazone; imine/hydrazone of aldehyde
Shape Index0.65217
Fragments1
Non HAtoms23
NonCHAtoms7
Electronegative Atoms7
Rotatable Bond5
Rings Closures2
Small Rings2
Aromatic Rings2
Aromatic Atoms12
Sp3Atoms2
Amides1
StereoCon

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