N-[(2Z,4E)-1-[(2Z)-2-[(4-chlorophenyl)methylidene]hydrazinyl]-1-oxo-5-phenylpenta-2,4-dien-2-yl]benzamide

Formula:C25H20N3O2Cl Mutagenic:none Tumorigenic:none Reproductive Effective:none N-[(2Z,4E)-1-[(2Z)-2-[(4-chlorophenyl)methylidene]hydrazinyl]-1-oxo-5-phenylpenta-2,4-dien-2-yl]benzamide is not a drug-like molecule.

MolName	N-[(2Z,4E)-1-[(2Z)-2-[(4-chlorophenyl)methylidene]hydrazinyl]-1-oxo-5-phenylpenta-2,4-dien-2-yl]benzamide
MolecularFormula	C25H20N3O2Cl
Smiles	O=C(/C(/NC(c1ccccc1)=O)=C/C=C/c1ccccc1)N/N=C\c(cc1)ccc1Cl
InChI	InChI=1S/C25H20ClN3O2/c26-22-16-14-20(15-17-22)18-27-29-25(31)23(13-7-10-19-8-3-1-4-9-19)28-24(30)21-11-5-2-6-12-21/h1-18H,(H,28,30)(H,29,31)
InChIK	MGXWQTWUORMQEL-UHFFFAOYSA-N
TotalMolweight	429.906
Molweight	429.906
MonoisotopicMass	429.124404
CLogP	6.0809
CLogS	-6.514
H Acceptors	5
H Donors	2
TotalSurfaceArea	342.59
Relative PSA	0.17663
PolarSurfaceArea	70.56
Druglikeness	6.5172
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	high
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.54839
Fragments	1
Non HAtoms	31
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	7
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	18
Symmetricatoms	6
Amides	1
StereoCon

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1 - N-[(2Z,4E)-1-[(2Z)-2-[(4-chlorophenyl)methylidene]hydrazinyl]-1-oxo-5-phenylpenta-2,4-dien-2-yl]benzamide | 2 - N-[(2Z,4E)-1-[(2Z)-2-[(4-chlorophenyl)methylidene]hydrazinyl]-1-oxo-5-phenylpenta-2,4-dien-2-yl]benzamide

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