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C14H10N3O4Br | Cheminformatics
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4-bromo-N-[(Z)-(3-hydroxy-4-nitrophenyl)methylideneamino]benzamide

Molecular Formula : C14H10N3O4Br | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |
4-bromo-N-[(Z)-(3-hydroxy-4-nitrophenyl)methylideneamino]benzamide is a drug-like molecule.

MolName : 4-bromo-N-[(Z)-(3-hydroxy-4-nitrophenyl)methylideneamino]benzamide

MolecularFormula : C14H10N3O4Br

Smiles : [O-][N+](c(ccc(/C=N\NC(c(cc1)ccc1Br)=O)c1)c1O)=O

InChI : InChI=1S/C14H10BrN3O4/c15-11-4-2-10(3-5-11)14(20)17-16-8-9-1-6-12(18(21)22)13(19)7-9/h1-8,19H,(H,17,20)

InChIK : JKRXPLYHGHRQFU-UHFFFAOYSA-N

TotalMolweight : 364.154

Molweight : 364.154

MonoisotopicMass : 362.985468

CLogP : 2.6595

CLogS : -4.719

H Acceptors : 7

H Donors : 2

TotalSurfaceArea : 235.64

Relative PSA : 0.33751

PolarSurfaceArea : 107.51

Druglikeness : -2.5702

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : none

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

Shape Index : 0.68182

Fragments : 1

Non HAtoms : 22

NonCHAtoms : 8

Electronegative Atoms : 8

Rotatable Bond : 4

Rings Closures : 2

Small Rings : 2

Aromatic Rings : 2

Aromatic Atoms : 12

Sp3Atoms : 2

Symmetricatoms : 2

AcidicOxygens : 1

StereoCon :

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1 - 4-bromo-N-[(Z)-(3-hydroxy-4-nitrophenyl)methylideneamino]benzamide
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