N-[2-[(2Z)-2-[[2-[(4-bromophenyl)methoxy]phenyl]methylidene]hydrazinyl]-2-oxoethyl]-2-chlorobenzamide

Formula:C23H19N3O3BrCl Mutagenic:none Tumorigenic:none Reproductive Effective:none N-[2-[(2Z)-2-[[2-[(4-bromophenyl)methoxy]phenyl]methylidene]hydrazinyl]-2-oxoethyl]-2-chlorobenzamide is not a drug-like molecule.

MolNameN-[2-[(2Z)-2-[[2-[(4-bromophenyl)methoxy]phenyl]methylidene]hydrazinyl]-2-oxoethyl]-2-chlorobenzamide
MolecularFormulaC23H19N3O3BrCl
SmilesO=C(CNC(c(cccc1)c1Cl)=O)N/N=C\c(cccc1)c1OCc(cc1)ccc1Br
InChIInChI=1S/C23H19BrClN3O3/c24-18-11-9-16(10-12-18)15-31-21-8-4-1-5-17(21)13-27-28-22(29)14-26-23(30)19-6-2-3-7-20(19)25/h1-13H,14-15H2,(H,26,30)(H,28,29)
InChIKPQOLZNRUDWSOFO-UHFFFAOYSA-N
TotalMolweight500.779
Molweight500.779
MonoisotopicMass499.02983
CLogP4.9646
CLogS-6.399
H Acceptors6
H Donors2
TotalSurfaceArea347.53
Relative PSA0.20289
PolarSurfaceArea79.79
Druglikeness3.2744
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functionsacyl-hydrazone; imine/hydrazone of aldehyde
Shape Index0.64516
Fragments1
Non HAtoms31
NonCHAtoms8
Electronegative Atoms8
Rotatable Bond8
Rings Closures3
Small Rings3
Aromatic Rings3
Aromatic Atoms18
Sp3Atoms3
Symmetricatoms2
Amides1
StereoCon

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