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C13H10N3OBr | Cheminformatics
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4-bromo-N-[(Z)-pyridin-4-ylmethylideneamino]benzamide

Molecular Formula : C13H10N3OBr | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |
4-bromo-N-[(Z)-pyridin-4-ylmethylideneamino]benzamide is a drug-like molecule.

MolName : 4-bromo-N-[(Z)-pyridin-4-ylmethylideneamino]benzamide

MolecularFormula : C13H10N3OBr

Smiles : O=C(c(cc1)ccc1Br)N/N=C\c1ccncc1

InChI : InChI=1S/C13H10BrN3O/c14-12-3-1-11(2-4-12)13(18)17-16-9-10-5-7-15-8-6-10/h1-9H,(H,17,18)

InChIK : OLYGSKHOGRVGIE-UHFFFAOYSA-N

TotalMolweight : 304.146

Molweight : 304.146

MonoisotopicMass : 303.000723

CLogP : 2.9259

CLogS : -3.76

H Acceptors : 4

H Donors : 1

TotalSurfaceArea : 204.38

Relative PSA : 0.22987

PolarSurfaceArea : 54.35

Druglikeness : 2.6787

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : none

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

Shape Index : 0.72222

Fragments : 1

Non HAtoms : 18

NonCHAtoms : 5

Electronegative Atoms : 5

Rotatable Bond : 3

Rings Closures : 2

Small Rings : 2

Aromatic Rings : 2

Aromatic Atoms : 12

Symmetricatoms : 4

Aromatic Nitrogens : 1

StereoCon :

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