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C14H8N2O2Br4 | Cheminformatics
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4-bromo-N-[(E)-(2,4,6-tribromo-3-hydroxyphenyl)methylideneamino]benzamide

Molecular Formula : C14H8N2O2Br4 | Mutagenic : none | Tumorigenic : none | Reproductive Effective : high |
4-bromo-N-[(E)-(2,4,6-tribromo-3-hydroxyphenyl)methylideneamino]benzamide is not a drug-like molecule.

MolName : 4-bromo-N-[(E)-(2,4,6-tribromo-3-hydroxyphenyl)methylideneamino]benzamide

MolecularFormula : C14H8N2O2Br4

Smiles : Oc(c(Br)cc(Br)c1/C=N/NC(c(cc2)ccc2Br)=O)c1Br

InChI : InChI=1S/C14H8Br4N2O2/c15-8-3-1-7(2-4-8)14(22)20-19-6-9-10(16)5-11(17)13(21)12(9)18/h1-6,21H,(H,20,22)

InChIK : GUUBPDFTOQIVIN-UHFFFAOYSA-N

TotalMolweight : 555.846

Molweight : 555.846

MonoisotopicMass : 551.731922

CLogP : 5.7567

CLogS : -6.761

H Acceptors : 4

H Donors : 2

TotalSurfaceArea : 267.86

Relative PSA : 0.18334

PolarSurfaceArea : 61.69

Druglikeness : 2.6304

Mutagenic : none

Tumorigenic : none

Reproductive Effective : high

Irritant : none

Nasty Functions : acyl-hydrazone; imine/hydrazone of aldehyde; polyhalo aromatic ring

Shape Index : 0.63636

Fragments : 1

Non HAtoms : 22

NonCHAtoms : 8

Electronegative Atoms : 8

Rotatable Bond : 3

Rings Closures : 2

Small Rings : 2

Aromatic Rings : 2

Aromatic Atoms : 12

Sp3Atoms : 1

Symmetricatoms : 2

StereoCon :

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1 - 4-bromo-N-[(E)-(2,4,6-tribromo-3-hydroxyphenyl)methylideneamino]benzamide
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