[4-bromo-2-[(Z)-[[2-[(3-chlorobenzoyl)amino]acetyl]hydrazinylidene]methyl]phenyl] benzoate

Formula:C23H17N3O4BrCl Mutagenic:high Tumorigenic:none Reproductive Effective:none [4-bromo-2-[(Z)-[[2-[(3-chlorobenzoyl)amino]acetyl]hydrazinylidene]methyl]phenyl] benzoate is not a drug-like molecule.

MolName[4-bromo-2-[(Z)-[[2-[(3-chlorobenzoyl)amino]acetyl]hydrazinylidene]methyl]phenyl] benzoate
MolecularFormulaC23H17N3O4BrCl
SmilesO=C(CNC(c1cc(Cl)ccc1)=O)N/N=C\c(cc(cc1)Br)c1OC(c1ccccc1)=O
InChIInChI=1S/C23H17BrClN3O4/c24-18-9-10-20(32-23(31)15-5-2-1-3-6-15)17(11-18)13-27-28-21(29)14-26-22(30)16-7-4-8-19(25)12-16/h1-13H,14H2,(H,26,30)(H,28,29)
InChIKKVAJIQLODVGHLX-UHFFFAOYSA-N
TotalMolweight514.762
Molweight514.762
MonoisotopicMass513.009095
CLogP5.047
CLogS-6.528
H Acceptors7
H Donors2
TotalSurfaceArea351.52
Relative PSA0.23768
PolarSurfaceArea96.86
Druglikeness3.3116
Mutagenichigh
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functionsacyl-hydrazone; imine/hydrazone of aldehyde
Shape Index0.59375
Fragments1
Non HAtoms32
NonCHAtoms9
Electronegative Atoms9
Rotatable Bond8
Rings Closures3
Small Rings3
Aromatic Rings3
Aromatic Atoms18
Sp3Atoms2
Symmetricatoms2
Amides1
StereoCon

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