[2,4-dibromo-6-[(Z)-[[2-[(3-fluorobenzoyl)amino]acetyl]hydrazinylidene]methyl]phenyl] benzoate

Formula:C23H16N3O4Br2F Mutagenic:none Tumorigenic:none Reproductive Effective:high [2,4-dibromo-6-[(Z)-[[2-[(3-fluorobenzoyl)amino]acetyl]hydrazinylidene]methyl]phenyl] benzoate is not a drug-like molecule.

MolName[2,4-dibromo-6-[(Z)-[[2-[(3-fluorobenzoyl)amino]acetyl]hydrazinylidene]methyl]phenyl] benzoate
MolecularFormulaC23H16N3O4Br2F
SmilesO=C(CNC(c1cc(F)ccc1)=O)N/N=C\c1cc(Br)cc(Br)c1OC(c1ccccc1)=O
InChIInChI=1S/C23H16Br2FN3O4/c24-17-9-16(21(19(25)11-17)33-23(32)14-5-2-1-3-6-14)12-28-29-20(30)13-27-22(31)15-7-4-8-18(26)10-15/h1-12H,13H2,(H,27,31)(H,29,30)
InChIKBNFMDQKJIZXJGB-UHFFFAOYSA-N
TotalMolweight577.203
Molweight577.203
MonoisotopicMass574.949157
CLogP5.267
CLogS-6.94
H Acceptors7
H Donors2
TotalSurfaceArea361.08
Relative PSA0.23139
PolarSurfaceArea96.86
Druglikeness1.9231
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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