[2,4-dibromo-6-[(Z)-[[2-[(2-bromobenzoyl)amino]acetyl]hydrazinylidene]methyl]phenyl] benzoate

Formula:C23H16N3O4Br3 Mutagenic:none Tumorigenic:none Reproductive Effective:high [2,4-dibromo-6-[(Z)-[[2-[(2-bromobenzoyl)amino]acetyl]hydrazinylidene]methyl]phenyl] benzoate is not a drug-like molecule.

MolName[2,4-dibromo-6-[(Z)-[[2-[(2-bromobenzoyl)amino]acetyl]hydrazinylidene]methyl]phenyl] benzoate
MolecularFormulaC23H16N3O4Br3
SmilesO=C(CNC(c(cccc1)c1Br)=O)N/N=C\c1cc(Br)cc(Br)c1OC(c1ccccc1)=O
InChIInChI=1S/C23H16Br3N3O4/c24-16-10-15(21(19(26)11-16)33-23(32)14-6-2-1-3-7-14)12-28-29-20(30)13-27-22(31)17-8-4-5-9-18(17)25/h1-12H,13H2,(H,27,31)(H,29,30)
InChIKQSILWSBIIYLZGI-UHFFFAOYSA-N
TotalMolweight638.109
Molweight638.109
MonoisotopicMass634.86909
CLogP5.8914
CLogS-7.46
H Acceptors7
H Donors2
TotalSurfaceArea373.36
Relative PSA0.22378
PolarSurfaceArea96.86
Druglikeness3.2631
Mutagenicnone
Tumorigenicnone
Reproductive Effectivehigh
Irritantnone
Nasty Functionsacyl-hydrazone; imine/hydrazone of aldehyde
Shape Index0.57576
Fragments1
Non HAtoms33
NonCHAtoms10
Electronegative Atoms10
Rotatable Bond8
Rings Closures3
Small Rings3
Aromatic Rings3
Aromatic Atoms18
Sp3Atoms2
Symmetricatoms2
Amides1
StereoCon

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