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[3-[(Z)-[(4-fluorophenyl)carbamothioylhydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate

Formula:C21H14N3O2Cl2FS Mutagenic:high Tumorigenic:none Reproductive Effective:high [3-[(Z)-[(4-fluorophenyl)carbamothioylhydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate is not a drug-like molecule.
MolName[3-[(Z)-[(4-fluorophenyl)carbamothioylhydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate
MolecularFormulaC21H14N3O2Cl2FS
SmilesO=C(c(ccc(Cl)c1)c1Cl)Oc1cc(/C=N\NC(Nc(cc2)ccc2F)=S)ccc1
InChIInChI=1S/C21H14Cl2FN3O2S/c22-14-4-9-18(19(23)11-14)20(28)29-17-3-1-2-13(10-17)12-25-27-21(30)26-16-7-5-15(24)6-8-16/h1-12H,(H2,26,27,30)
InChIKKTXYMEFNXCABCN-UHFFFAOYSA-N
TotalMolweight462.331
Molweight462.331
MonoisotopicMass461.016779
CLogP6.3355
CLogS-7.577
H Acceptors5
H Donors2
TotalSurfaceArea338.11
Relative PSA0.25279
PolarSurfaceArea94.81
Druglikeness0.74473
Mutagenichigh
Tumorigenicnone
Reproductive Effectivehigh
Irritantlow
Nasty Functionsimine/hydrazone of aldehyde; thio-amide/urea
Shape Index0.66667
Fragments1
Non HAtoms30
NonCHAtoms9
Electronegative Atoms9
Rotatable Bond6
Rings Closures3
Small Rings3
Aromatic Rings3
Aromatic Atoms18
Sp3Atoms2
Symmetricatoms2
StereoCon

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