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[1-[(Z)-[(4-fluorophenyl)carbamothioylhydrazinylidene]methyl]naphthalen-2-yl] 2,4-dichlorobenzoate

Formula:C25H16N3O2Cl2FS Mutagenic:high Tumorigenic:high Reproductive Effective:high [1-[(Z)-[(4-fluorophenyl)carbamothioylhydrazinylidene]methyl]naphthalen-2-yl] 2,4-dichlorobenzoate is not a drug-like molecule.
MolName[1-[(Z)-[(4-fluorophenyl)carbamothioylhydrazinylidene]methyl]naphthalen-2-yl] 2,4-dichlorobenzoate
MolecularFormulaC25H16N3O2Cl2FS
SmilesO=C(c(ccc(Cl)c1)c1Cl)Oc1c(/C=N\NC(Nc(cc2)ccc2F)=S)c2ccccc2cc1
InChIInChI=1S/C25H16Cl2FN3O2S/c26-16-6-11-20(22(27)13-16)24(32)33-23-12-5-15-3-1-2-4-19(15)21(23)14-29-31-25(34)30-18-9-7-17(28)8-10-18/h1-14H,(H2,30,31,34)
InChIKOCQARFQWWZPFGY-UHFFFAOYSA-N
TotalMolweight512.391
Molweight512.391
MonoisotopicMass511.032429
CLogP7.5299
CLogS-9.183
H Acceptors5
H Donors2
TotalSurfaceArea372.71
Relative PSA0.22932
PolarSurfaceArea94.81
Druglikeness0.74473
Mutagenichigh
Tumorigenichigh
Reproductive Effectivehigh
Irritantlow
Nasty Functionsimine/hydrazone of aldehyde; thio-amide/urea
Shape Index0.55882
Fragments1
Non HAtoms34
NonCHAtoms9
Electronegative Atoms9
Rotatable Bond6
Rings Closures4
Small Rings4
Aromatic Rings4
Aromatic Atoms22
Sp3Atoms2
Symmetricatoms2
StereoCon

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