[4-bromo-2-[(Z)-[[2-[(3,4-dichlorobenzoyl)amino]acetyl]hydrazinylidene]methyl]phenyl] 4-chlorobenzoate

Formula:C23H15N3O4BrCl3 Mutagenic:high Tumorigenic:none Reproductive Effective:none [4-bromo-2-[(Z)-[[2-[(3,4-dichlorobenzoyl)amino]acetyl]hydrazinylidene]methyl]phenyl] 4-chlorobenzoate is not a drug-like molecule.

MolName[4-bromo-2-[(Z)-[[2-[(3,4-dichlorobenzoyl)amino]acetyl]hydrazinylidene]methyl]phenyl] 4-chlorobenzoate
MolecularFormulaC23H15N3O4BrCl3
SmilesO=C(CNC(c(cc1)cc(Cl)c1Cl)=O)N/N=C\c(cc(cc1)Br)c1OC(c(cc1)ccc1Cl)=O
InChIInChI=1S/C23H15BrCl3N3O4/c24-16-4-8-20(34-23(33)13-1-5-17(25)6-2-13)15(9-16)11-29-30-21(31)12-28-22(32)14-3-7-18(26)19(27)10-14/h1-11H,12H2,(H,28,32)(H,30,31)
InChIKHATJHHMHLXWTPI-UHFFFAOYSA-N
TotalMolweight583.652
Molweight583.652
MonoisotopicMass580.931149
CLogP6.259
CLogS-8
H Acceptors7
H Donors2
TotalSurfaceArea382.36
Relative PSA0.21851
PolarSurfaceArea96.86
Druglikeness3.3116
Mutagenichigh
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functionsacyl-hydrazone; imine/hydrazone of aldehyde
Shape Index0.61765
Fragments1
Non HAtoms34
NonCHAtoms11
Electronegative Atoms11
Rotatable Bond8
Rings Closures3
Small Rings3
Aromatic Rings3
Aromatic Atoms18
Sp3Atoms2
Symmetricatoms2
Amides1
StereoCon

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