[4-bromo-2-[(Z)-(2,3-dihydro-1,4-benzodioxine-6-carbonylhydrazinylidene)methyl]phenyl] 4-nitrobenzoate

Formula:C23H16N3O7Br Mutagenic:high Tumorigenic:none Reproductive Effective:none [4-bromo-2-[(Z)-(2,3-dihydro-1,4-benzodioxine-6-carbonylhydrazinylidene)methyl]phenyl] 4-nitrobenzoate is not a drug-like molecule.

MolName	[4-bromo-2-[(Z)-(2,3-dihydro-1,4-benzodioxine-6-carbonylhydrazinylidene)methyl]phenyl] 4-nitrobenzoate
MolecularFormula	C23H16N3O7Br
Smiles	[O-][N+](c(cc1)ccc1C(Oc(cc1)c(/C=N\NC(c(cc2)cc3c2OCCO3)=O)cc1Br)=O)=O
InChI	InChI=1S/C23H16BrN3O7/c24-17-4-8-19(34-23(29)14-1-5-18(6-2-14)27(30)31)16(11-17)13-25-26-22(28)15-3-7-20-21(12-15)33-10-9-32-20/h1-8,11-13H,9-10H2,(H,26,28)
InChIK	QNQPCRWWTTYYNB-UHFFFAOYSA-N
TotalMolweight	526.298
Molweight	526.298
MonoisotopicMass	525.017163
CLogP	4.4145
CLogS	-6.667
H Acceptors	10
H Donors	1
TotalSurfaceArea	350.82
Relative PSA	0.31204
PolarSurfaceArea	132.04
Druglikeness	-9.9429
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.58824
Fragments	1
Non HAtoms	34
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	7
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	6
Symmetricatoms	2
AcidicOxygens	1
StereoCon

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1 - [4-bromo-2-[(Z)-(2,3-dihydro-1,4-benzodioxine-6-carbonylhydrazinylidene)methyl]phenyl] 4-nitrobenzoate | 2 - [4-bromo-2-[(Z)-(2,3-dihydro-1,4-benzodioxine-6-carbonylhydrazinylidene)methyl]phenyl] 4-nitrobenzoate

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