[4-[(Z)-[[2-[(4-chlorobenzoyl)amino]acetyl]hydrazinylidene]methyl]phenyl] 2-bromobenzoate

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

MolName[4-[(Z)-[[2-[(4-chlorobenzoyl)amino]acetyl]hydrazinylidene]methyl]phenyl] 2-bromobenzoate
MolecularFormulaC23H17N3O4BrCl
SmilesO=C(CNC(c(cc1)ccc1Cl)=O)N/N=C\c(cc1)ccc1OC(c(cccc1)c1Br)=O
InChIInChI=1S/C23H17BrClN3O4/c24-20-4-2-1-3-19(20)23(31)32-18-11-5-15(6-12-18)13-27-28-21(29)14-26-22(30)16-7-9-17(25)10-8-16/h1-13H,14H2,(H,26,30)(H,28,29)
InChIKUEMKUOGYDVUXRO-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
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functionsacyl-hydrazone; imine/hydrazone of aldehyde
Shape Index0.6875
Fragments1
Non HAtoms32
NonCHAtoms9
Electronegative Atoms9
Rotatable Bond8
Rings Closures3
Small Rings3
Aromatic Rings3
Aromatic Atoms18
Sp3Atoms2
Symmetricatoms4
Amides1
StereoCon

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