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

Formula:C23H17N3O4BrF Mutagenic:high Tumorigenic:none Reproductive Effective:none [4-bromo-2-[(Z)-[[2-[(4-fluorobenzoyl)amino]acetyl]hydrazinylidene]methyl]phenyl] benzoate is a drug-like molecule.

MolName[4-bromo-2-[(Z)-[[2-[(4-fluorobenzoyl)amino]acetyl]hydrazinylidene]methyl]phenyl] benzoate
MolecularFormulaC23H17N3O4BrF
SmilesO=C(CNC(c(cc1)ccc1F)=O)N/N=C\c(cc(cc1)Br)c1OC(c1ccccc1)=O
InChIInChI=1S/C23H17BrFN3O4/c24-18-8-11-20(32-23(31)16-4-2-1-3-5-16)17(12-18)13-27-28-21(29)14-26-22(30)15-6-9-19(25)10-7-15/h1-13H,14H2,(H,26,30)(H,28,29)
InChIKNYPFCWFKEUTKIV-UHFFFAOYSA-N
TotalMolweight498.307
Molweight498.307
MonoisotopicMass497.038646
CLogP4.5418
CLogS-6.106
H Acceptors7
H Donors2
TotalSurfaceArea342.45
Relative PSA0.24398
PolarSurfaceArea96.86
Druglikeness1.9231
Mutagenichigh
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functionsacyl-hydrazone; imine/hydrazone of aldehyde
Shape Index0.625
Fragments1
Non HAtoms32
NonCHAtoms9
Electronegative Atoms9
Rotatable Bond8
Rings Closures3
Small Rings3
Aromatic Rings3
Aromatic Atoms18
Sp3Atoms2
Symmetricatoms4
Amides1
StereoCon

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