[2-[(Z)-[[(Z)-2-benzamido-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]hydrazinylidene]methyl]-6-bromo-4-nitrophenyl] benzoate

Formula:C31H21N4O8Br Mutagenic:none Tumorigenic:none Reproductive Effective:high [2-[(Z)-[[(Z)-2-benzamido-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]hydrazinylidene]methyl]-6-bromo-4-nitrophenyl] benzoate is not a drug-like molecule.

MolName	[2-[(Z)-[[(Z)-2-benzamido-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]hydrazinylidene]methyl]-6-bromo-4-nitrophenyl] benzoate
MolecularFormula	C31H21N4O8Br
Smiles	[O-][N+](c(cc1/C=N\NC(/C(/NC(c2ccccc2)=O)=C/c(cc2)cc3c2OCO3)=O)cc(Br)c1OC(c1ccccc1)=O)=O
InChI	InChI=1S/C31H21BrN4O8/c32-24-16-23(36(40)41)15-22(28(24)44-31(39)21-9-5-2-6-10-21)17-33-35-30(38)25(34-29(37)20-7-3-1-4-8-20)13-19-11-12-26-27(14-19)43-18-42-26/h1-17H,18H2,(H,34,37)(H,35,38)
InChIK	LZJATJHPUCKPNE-UHFFFAOYSA-N
TotalMolweight	657.432
Molweight	657.432
MonoisotopicMass	656.054277
CLogP	6.1638
CLogS	-8.941
H Acceptors	12
H Donors	2
TotalSurfaceArea	450.74
Relative PSA	0.29722
PolarSurfaceArea	161.14
Druglikeness	-0.70298
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.43182
Fragments	1
Non HAtoms	44
NonCHAtoms	13
Electronegative Atoms	13
Rotatable Bond	10
Rings Closures	5
Small Rings	5
Aromatic Rings	4
Aromatic Atoms	24
Sp3Atoms	5
Symmetricatoms	4
Amides	1
AcidicOxygens	1
StereoCon

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1 - [2-[(Z)-[[(Z)-2-benzamido-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]hydrazinylidene]methyl]-6-bromo-4-nitrophenyl] benzoate | 2 - [2-[(Z)-[[(Z)-2-benzamido-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]hydrazinylidene]methyl]-6-bromo-4-nitrophenyl] benzoate

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