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C14H9N3O3BrCl | Cheminformatics
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4-bromo-N-[(E)-(4-chloro-3-nitrophenyl)methylideneamino]benzamide

Molecular Formula : C14H9N3O3BrCl | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |
4-bromo-N-[(E)-(4-chloro-3-nitrophenyl)methylideneamino]benzamide is a drug-like molecule.

MolName : 4-bromo-N-[(E)-(4-chloro-3-nitrophenyl)methylideneamino]benzamide

MolecularFormula : C14H9N3O3BrCl

Smiles : [O-][N+](c(cc(/C=N/NC(c(cc1)ccc1Br)=O)cc1)c1Cl)=O

InChI : InChI=1S/C14H9BrClN3O3/c15-11-4-2-10(3-5-11)14(20)18-17-8-9-1-6-12(16)13(7-9)19(21)22/h1-8H,(H,18,20)

InChIK : VKXZTKALNWISOH-UHFFFAOYSA-N

TotalMolweight : 382.6

Molweight : 382.6

MonoisotopicMass : 380.95158

CLogP : 3.6112

CLogS : -5.751

H Acceptors : 6

H Donors : 1

TotalSurfaceArea : 244.71

Relative PSA : 0.27146

PolarSurfaceArea : 87.28

Druglikeness : -2.5212

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : none

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

Shape Index : 0.63636

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 : 1

Symmetricatoms : 2

AcidicOxygens : 1

StereoCon :

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1 - 4-bromo-N-[(E)-(4-chloro-3-nitrophenyl)methylideneamino]benzamide
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