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2-[2-[(2Z)-2-[(4-chlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]sulfanyl-N-[4-(trifluoromethoxy)phenyl]acetamide

Formula:C18H15N3O3ClF3S Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[2-[(2Z)-2-[(4-chlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]sulfanyl-N-[4-(trifluoromethoxy)phenyl]acetamide is a drug-like molecule.
MolName2-[2-[(2Z)-2-[(4-chlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]sulfanyl-N-[4-(trifluoromethoxy)phenyl]acetamide
MolecularFormulaC18H15N3O3ClF3S
SmilesO=C(CSCC(N/N=C\c(cc1)ccc1Cl)=O)Nc(cc1)ccc1OC(F)(F)F
InChIInChI=1S/C18H15ClF3N3O3S/c19-13-3-1-12(2-4-13)9-23-25-17(27)11-29-10-16(26)24-14-5-7-15(8-6-14)28-18(20,21)22/h1-9H,10-11H2,(H,24,26)(H,25,27)
InChIKNFLHLJVYQSFHCB-UHFFFAOYSA-N
TotalMolweight445.848
Molweight445.848
MonoisotopicMass445.047473
CLogP4.4951
CLogS-5.891
H Acceptors6
H Donors2
TotalSurfaceArea316.09
Relative PSA0.2784
PolarSurfaceArea105.09
Druglikeness-2.9227
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functionsacyl-hydrazone; imine/hydrazone of aldehyde
Shape Index0.72414
Fragments1
Non HAtoms29
NonCHAtoms11
Electronegative Atoms11
Rotatable Bond9
Rings Closures2
Small Rings2
Aromatic Rings2
Aromatic Atoms12
Sp3Atoms5
Symmetricatoms6
Amides1
StereoCon

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