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

Formula:C24H17N4O6Br Mutagenic:none Tumorigenic:none Reproductive Effective:high N-[(E)-1-(1,3-benzodioxol-5-yl)-3-[(2Z)-2-[(3-nitrophenyl)methylidene]hydrazinyl]-3-oxoprop-1-en-2-yl]-4-bromobenzamide is not a drug-like molecule.

MolName	N-[(E)-1-(1,3-benzodioxol-5-yl)-3-[(2Z)-2-[(3-nitrophenyl)methylidene]hydrazinyl]-3-oxoprop-1-en-2-yl]-4-bromobenzamide
MolecularFormula	C24H17N4O6Br
Smiles	[O-][N+](c1cccc(/C=N\NC(/C(/NC(c(cc2)ccc2Br)=O)=C\c(cc2)cc3c2OCO3)=O)c1)=O
InChI	InChI=1S/C24H17BrN4O6/c25-18-7-5-17(6-8-18)23(30)27-20(11-15-4-9-21-22(12-15)35-14-34-21)24(31)28-26-13-16-2-1-3-19(10-16)29(32)33/h1-13H,14H2,(H,27,30)(H,28,31)
InChIK	NDTXKEUBCPWHQK-UHFFFAOYSA-N
TotalMolweight	537.325
Molweight	537.325
MonoisotopicMass	536.033147
CLogP	4.7333
CLogS	-7.471
H Acceptors	10
H Donors	2
TotalSurfaceArea	363.23
Relative PSA	0.3054
PolarSurfaceArea	134.84
Druglikeness	-0.58586
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.48571
Fragments	1
Non HAtoms	35
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	7
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	4
Symmetricatoms	2
Amides	1
AcidicOxygens	1
StereoCon

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

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