N-[(E)-1-(1,3-benzodioxol-5-yl)-3-[(2Z)-2-[(3,4-dichlorophenyl)methylidene]hydrazinyl]-3-oxoprop-1-en-2-yl]benzamide

Formula:C24H17N3O4Cl2 Mutagenic:none Tumorigenic:none Reproductive Effective:high N-[(E)-1-(1,3-benzodioxol-5-yl)-3-[(2Z)-2-[(3,4-dichlorophenyl)methylidene]hydrazinyl]-3-oxoprop-1-en-2-yl]benzamide is not a drug-like molecule.

MolName	N-[(E)-1-(1,3-benzodioxol-5-yl)-3-[(2Z)-2-[(3,4-dichlorophenyl)methylidene]hydrazinyl]-3-oxoprop-1-en-2-yl]benzamide
MolecularFormula	C24H17N3O4Cl2
Smiles	O=C(/C(/NC(c1ccccc1)=O)=C\c(cc1)cc2c1OCO2)N/N=C\c(cc1)cc(Cl)c1Cl
InChI	InChI=1S/C24H17Cl2N3O4/c25-18-8-6-16(10-19(18)26)13-27-29-24(31)20(28-23(30)17-4-2-1-3-5-17)11-15-7-9-21-22(12-15)33-14-32-21/h1-13H,14H2,(H,28,30)(H,29,31)
InChIK	NIUZPRMCZZVPPK-UHFFFAOYSA-N
TotalMolweight	482.322
Molweight	482.322
MonoisotopicMass	481.059611
CLogP	6.1417
CLogS	-7.649
H Acceptors	7
H Donors	2
TotalSurfaceArea	351.77
Relative PSA	0.22887
PolarSurfaceArea	89.02
Druglikeness	6.3026
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.48485
Fragments	1
Non HAtoms	33
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	6
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	3
Symmetricatoms	2
Amides	1
StereoCon

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1 - N-[(E)-1-(1,3-benzodioxol-5-yl)-3-[(2Z)-2-[(3,4-dichlorophenyl)methylidene]hydrazinyl]-3-oxoprop-1-en-2-yl]benzamide | 2 - N-[(E)-1-(1,3-benzodioxol-5-yl)-3-[(2Z)-2-[(3,4-dichlorophenyl)methylidene]hydrazinyl]-3-oxoprop-1-en-2-yl]benzamide

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