2-[4-[(Z)-[[2-(2-fluorophenoxy)acetyl]hydrazinylidene]methyl]phenoxy]acetate

Formula:C17H14N2O5F Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[4-[(Z)-[[2-(2-fluorophenoxy)acetyl]hydrazinylidene]methyl]phenoxy]acetate is a drug-like molecule.

MolName2-[4-[(Z)-[[2-(2-fluorophenoxy)acetyl]hydrazinylidene]methyl]phenoxy]acetate
MolecularFormulaC17H14N2O5F
Smiles[O-]C(COc1ccc(/C=N\NC(COc(cccc2)c2F)=O)cc1)=O
InChIInChI=1S/C17H15FN2O5/c18-14-3-1-2-4-15(14)25-10-16(21)20-19-9-12-5-7-13(8-6-12)24-11-17(22)23/h1-9H,10-11H2,(H,20,21)(H,22,23)/p-1
InChIKITVFLOHISCNRLF-UHFFFAOYSA-M
TotalMolweight345.305
Molweight345.305
MonoisotopicMass345.088676
CLogP-0.1387
CLogS-3.608
H Acceptors7
H Donors1
TotalSurfaceArea266.14
Relative PSA0.31311
PolarSurfaceArea100.05
Druglikeness2.9064
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functionsacyl-hydrazone; imine/hydrazone of aldehyde
Shape Index0.72
Fragments1
Non HAtoms25
NonCHAtoms8
Electronegative Atoms8
Rotatable Bond8
Rings Closures2
Small Rings2
Aromatic Rings2
Aromatic Atoms12
Sp3Atoms5
Symmetricatoms2
AcidicOxygens1
StereoCon

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