[4-[(Z)-(benzoylhydrazinylidene)methyl]-2,6-dibromophenyl] 3,5-dinitrobenzoate

Formula:C21H12N4O7Br2 Mutagenic:none Tumorigenic:none Reproductive Effective:none [4-[(Z)-(benzoylhydrazinylidene)methyl]-2,6-dibromophenyl] 3,5-dinitrobenzoate is not a drug-like molecule.

MolName	[4-[(Z)-(benzoylhydrazinylidene)methyl]-2,6-dibromophenyl] 3,5-dinitrobenzoate
MolecularFormula	C21H12N4O7Br2
Smiles	[O-][N+](c1cc(C(Oc(c(Br)cc(/C=N\NC(c2ccccc2)=O)c2)c2Br)=O)cc([N+]([O-])=O)c1)=O
InChI	InChI=1S/C21H12Br2N4O7/c22-17-6-12(11-24-25-20(28)13-4-2-1-3-5-13)7-18(23)19(17)34-21(29)14-8-15(26(30)31)10-16(9-14)27(32)33/h1-11H,(H,25,28)
InChIK	CYSZUSQWHZQTHA-UHFFFAOYSA-N
TotalMolweight	592.155
Molweight	592.155
MonoisotopicMass	589.907273
CLogP	4.2393
CLogS	-7.779
H Acceptors	11
H Donors	1
TotalSurfaceArea	359.1
Relative PSA	0.33386
PolarSurfaceArea	159.4
Druglikeness	-2.8781
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.55882
Fragments	1
Non HAtoms	34
NonCHAtoms	13
Electronegative Atoms	13
Rotatable Bond	8
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	3
Symmetricatoms	10
AcidicOxygens	2
StereoCon

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