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

Formula:C24H18N3O4Br Mutagenic:none Tumorigenic:none Reproductive Effective:high N-[(E)-1-(1,3-benzodioxol-5-yl)-3-[(2Z)-2-[(3-bromophenyl)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-bromophenyl)methylidene]hydrazinyl]-3-oxoprop-1-en-2-yl]benzamide
MolecularFormula	C24H18N3O4Br
Smiles	O=C(/C(/NC(c1ccccc1)=O)=C\c(cc1)cc2c1OCO2)N/N=C\c1cccc(Br)c1
InChI	InChI=1S/C24H18BrN3O4/c25-19-8-4-5-17(11-19)14-26-28-24(30)20(27-23(29)18-6-2-1-3-7-18)12-16-9-10-21-22(13-16)32-15-31-21/h1-14H,15H2,(H,27,29)(H,28,30)
InChIK	XQDXYRKKYYWTFF-UHFFFAOYSA-N
TotalMolweight	492.328
Molweight	492.328
MonoisotopicMass	491.048068
CLogP	5.6549
CLogS	-7.011
H Acceptors	7
H Donors	2
TotalSurfaceArea	339.56
Relative PSA	0.2371
PolarSurfaceArea	89.02
Druglikeness	4.4798
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.46875
Fragments	1
Non HAtoms	32
NonCHAtoms	8
Electronegative Atoms	8
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-bromophenyl)methylidene]hydrazinyl]-3-oxoprop-1-en-2-yl]benzamide | 2 - N-[(E)-1-(1,3-benzodioxol-5-yl)-3-[(2Z)-2-[(3-bromophenyl)methylidene]hydrazinyl]-3-oxoprop-1-en-2-yl]benzamide

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