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

Formula:C23H15N3O4Br3F Mutagenic:none Tumorigenic:none Reproductive Effective:high [2,4-dibromo-6-[(Z)-[[2-[(3-fluorobenzoyl)amino]acetyl]hydrazinylidene]methyl]phenyl] 2-bromobenzoate is not a drug-like molecule.

MolName[2,4-dibromo-6-[(Z)-[[2-[(3-fluorobenzoyl)amino]acetyl]hydrazinylidene]methyl]phenyl] 2-bromobenzoate
MolecularFormulaC23H15N3O4Br3F
SmilesO=C(CNC(c1cc(F)ccc1)=O)N/N=C\c1cc(Br)cc(Br)c1OC(c(cccc1)c1Br)=O
InChIInChI=1S/C23H15Br3FN3O4/c24-15-8-14(21(19(26)10-15)34-23(33)17-6-1-2-7-18(17)25)11-29-30-20(31)12-28-22(32)13-4-3-5-16(27)9-13/h1-11H,12H2,(H,28,32)(H,30,31)
InChIKQQAYAUSHXMAFIN-UHFFFAOYSA-N
TotalMolweight656.099
Molweight656.099
MonoisotopicMass652.859668
CLogP5.9922
CLogS-7.774
H Acceptors7
H Donors2
TotalSurfaceArea379.71
Relative PSA0.22004
PolarSurfaceArea96.86
Druglikeness1.9231
Mutagenicnone
Tumorigenicnone
Reproductive Effectivehigh
Irritantnone
Nasty Functionsacyl-hydrazone; imine/hydrazone of aldehyde
Shape Index0.55882
Fragments1
Non HAtoms34
NonCHAtoms11
Electronegative Atoms11
Rotatable Bond8
Rings Closures3
Small Rings3
Aromatic Rings3
Aromatic Atoms18
Sp3Atoms2
Amides1
StereoCon

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