2-(2,4-dibromo-6-methylphenoxy)-N'-(4-methylphenyl)sulfonylacetohydrazide

Formula:C16H16N2O4Br2S Mutagenic:low Tumorigenic:none Reproductive Effective:high 2-(2,4-dibromo-6-methylphenoxy)-N'-(4-methylphenyl)sulfonylacetohydrazide is a drug-like molecule.

MolName2-(2,4-dibromo-6-methylphenoxy)-N'-(4-methylphenyl)sulfonylacetohydrazide
MolecularFormulaC16H16N2O4Br2S
SmilesCc(cc1)ccc1S(NNC(COc(c(C)cc(Br)c1)c1Br)=O)(=O)=O
InChIInChI=1S/C16H16Br2N2O4S/c1-10-3-5-13(6-4-10)25(22,23)20-19-15(21)9-24-16-11(2)7-12(17)8-14(16)18/h3-8,20H,9H2,1-2H3,(H,19,21)
InChIKFZOFPRCUKMDSER-UHFFFAOYSA-N
TotalMolweight492.187
Molweight492.187
MonoisotopicMass489.91975
CLogP2.4062
CLogS-3.641
H Acceptors6
H Donors2
TotalSurfaceArea287.81
Relative PSA0.25899
PolarSurfaceArea92.88
Druglikeness-5.1712
Mutageniclow
Tumorigenicnone
Reproductive Effectivehigh
Irritantnone
Nasty Functions
Shape Index0.64
Fragments1
Non HAtoms25
NonCHAtoms9
Electronegative Atoms9
Rotatable Bond5
Rings Closures2
Small Rings2
Aromatic Rings2
Aromatic Atoms12
Sp3Atoms5
Symmetricatoms3
StereoCon

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