4-[(Z)-[[2-(4-fluorophenyl)acetyl]hydrazinylidene]methyl]benzoate

Formula:C16H12N2O3F Mutagenic:none Tumorigenic:none Reproductive Effective:none 4-[(Z)-[[2-(4-fluorophenyl)acetyl]hydrazinylidene]methyl]benzoate is a drug-like molecule.

MolName4-[(Z)-[[2-(4-fluorophenyl)acetyl]hydrazinylidene]methyl]benzoate
MolecularFormulaC16H12N2O3F
Smiles[O-]C(c1ccc(/C=N\NC(Cc(cc2)ccc2F)=O)cc1)=O
InChIInChI=1S/C16H13FN2O3/c17-14-7-3-11(4-8-14)9-15(20)19-18-10-12-1-5-13(6-2-12)16(21)22/h1-8,10H,9H2,(H,19,20)(H,21,22)/p-1
InChIKWGNIVFFNEONZKF-UHFFFAOYSA-M
TotalMolweight299.28
Molweight299.28
MonoisotopicMass299.083196
CLogP0.7096
CLogS-4.013
H Acceptors5
H Donors1
TotalSurfaceArea232.38
Relative PSA0.27253
PolarSurfaceArea81.59
Druglikeness3.0475
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functionsacyl-hydrazone; imine/hydrazone of aldehyde
Shape Index0.72727
Fragments1
Non HAtoms22
NonCHAtoms6
Electronegative Atoms6
Rotatable Bond5
Rings Closures2
Small Rings2
Aromatic Rings2
Aromatic Atoms12
Sp3Atoms2
Symmetricatoms4
AcidicOxygens1
StereoCon

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