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3,4-dichloro-N-[2-oxo-2-[(2Z)-2-[(4-phenylmethoxyphenyl)methylidene]hydrazinyl]ethyl]benzamide

Formula:C23H19N3O3Cl2 Mutagenic:none Tumorigenic:none Reproductive Effective:none 3,4-dichloro-N-[2-oxo-2-[(2Z)-2-[(4-phenylmethoxyphenyl)methylidene]hydrazinyl]ethyl]benzamide is a drug-like molecule.
MolName3,4-dichloro-N-[2-oxo-2-[(2Z)-2-[(4-phenylmethoxyphenyl)methylidene]hydrazinyl]ethyl]benzamide
MolecularFormulaC23H19N3O3Cl2
SmilesO=C(CNC(c(cc1)cc(Cl)c1Cl)=O)N/N=C\c(cc1)ccc1OCc1ccccc1
InChIInChI=1S/C23H19Cl2N3O3/c24-20-11-8-18(12-21(20)25)23(30)26-14-22(29)28-27-13-16-6-9-19(10-7-16)31-15-17-4-2-1-3-5-17/h1-13H,14-15H2,(H,26,30)(H,28,29)
InChIKAORFVCSRAQIOCB-UHFFFAOYSA-N
TotalMolweight456.328
Molweight456.328
MonoisotopicMass455.080346
CLogP4.8454
CLogS-6.301
H Acceptors6
H Donors2
TotalSurfaceArea344.32
Relative PSA0.20478
PolarSurfaceArea79.79
Druglikeness5.0644
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functionsacyl-hydrazone; imine/hydrazone of aldehyde
Shape Index0.70968
Fragments1
Non HAtoms31
NonCHAtoms8
Electronegative Atoms8
Rotatable Bond8
Rings Closures3
Small Rings3
Aromatic Rings3
Aromatic Atoms18
Sp3Atoms3
Symmetricatoms4
Amides1
StereoCon

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