[4-[(Z)-[[2-(4-fluorophenoxy)acetyl]hydrazinylidene]methyl]phenyl] thiophene-2-carboxylate

Formula:C20H15N2O4FS Mutagenic:none Tumorigenic:none Reproductive Effective:none [4-[(Z)-[[2-(4-fluorophenoxy)acetyl]hydrazinylidene]methyl]phenyl] thiophene-2-carboxylate is a drug-like molecule.

MolName[4-[(Z)-[[2-(4-fluorophenoxy)acetyl]hydrazinylidene]methyl]phenyl] thiophene-2-carboxylate
MolecularFormulaC20H15N2O4FS
SmilesO=C(COc(cc1)ccc1F)N/N=C\c(cc1)ccc1OC(c1cccs1)=O
InChIInChI=1S/C20H15FN2O4S/c21-15-5-9-16(10-6-15)26-13-19(24)23-22-12-14-3-7-17(8-4-14)27-20(25)18-2-1-11-28-18/h1-12H,13H2,(H,23,24)
InChIKNAQDWQRHRRRGLO-UHFFFAOYSA-N
TotalMolweight398.413
Molweight398.413
MonoisotopicMass398.073656
CLogP4.1744
CLogS-5.295
H Acceptors6
H Donors1
TotalSurfaceArea300.55
Relative PSA0.29749
PolarSurfaceArea105.23
Druglikeness4.6054
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functionsacyl-hydrazone; imine/hydrazone of aldehyde
Shape Index0.71429
Fragments1
Non HAtoms28
NonCHAtoms8
Electronegative Atoms8
Rotatable Bond8
Rings Closures3
Small Rings3
Aromatic Rings3
Aromatic Atoms17
Sp3Atoms3
Symmetricatoms4
StereoCon

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