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C14H10N3O3Br | Cheminformatics
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(E)-N-(5-bromopyridin-2-yl)-3-(3-nitrophenyl)prop-2-enamide

Molecular Formula : C14H10N3O3Br | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |
(E)-N-(5-bromopyridin-2-yl)-3-(3-nitrophenyl)prop-2-enamide is a drug-like molecule.

MolName : (E)-N-(5-bromopyridin-2-yl)-3-(3-nitrophenyl)prop-2-enamide

MolecularFormula : C14H10N3O3Br

Smiles : [O-][N+](c1cccc(/C=C/C(Nc(cc2)ncc2Br)=O)c1)=O

InChI : InChI=1S/C14H10BrN3O3/c15-11-5-6-13(16-9-11)17-14(19)7-4-10-2-1-3-12(8-10)18(20)21/h1-9H,(H,16,17,19)

InChIK : WQOMMQOJAKJPBY-UHFFFAOYSA-N

TotalMolweight : 348.155

Molweight : 348.155

MonoisotopicMass : 346.990553

CLogP : 2.2904

CLogS : -4.522

H Acceptors : 6

H Donors : 1

TotalSurfaceArea : 229.79

Relative PSA : 0.28674

PolarSurfaceArea : 87.81

Druglikeness : -7.3283

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : none

Nasty Functions : aromatic nitro

Shape Index : 0.66667

Fragments : 1

Non HAtoms : 21

NonCHAtoms : 7

Electronegative Atoms : 7

Rotatable Bond : 4

Rings Closures : 2

Small Rings : 2

Aromatic Rings : 2

Aromatic Atoms : 12

Sp3Atoms : 1

Amides : 1

Aromatic Nitrogens : 1

AcidicOxygens : 1

StereoCon :

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