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C14H11N3O3 | Cheminformatics
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(E)-3-(3-nitrophenyl)-N-pyridin-4-ylprop-2-enamide

Molecular Formula : C14H11N3O3 | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |
(E)-3-(3-nitrophenyl)-N-pyridin-4-ylprop-2-enamide is a drug-like molecule.

MolName : (E)-3-(3-nitrophenyl)-N-pyridin-4-ylprop-2-enamide

MolecularFormula : C14H11N3O3

Smiles : [O-][N+](c1cc(/C=C/C(Nc2ccncc2)=O)ccc1)=O

InChI : InChI=1S/C14H11N3O3/c18-14(16-12-6-8-15-9-7-12)5-4-11-2-1-3-13(10-11)17(19)20/h1-10H,(H,15,16,18)

InChIK : ITZDNYGWASKQCT-UHFFFAOYSA-N

TotalMolweight : 269.259

Molweight : 269.259

MonoisotopicMass : 269.080042

CLogP : 1.2138

CLogS : -3.163

H Acceptors : 6

H Donors : 1

TotalSurfaceArea : 211.16

Relative PSA : 0.31204

PolarSurfaceArea : 87.81

Druglikeness : -5.5383

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : none

Nasty Functions : aromatic nitro

Shape Index : 0.65

Fragments : 1

Non HAtoms : 20

NonCHAtoms : 6

Electronegative Atoms : 6

Rotatable Bond : 4

Rings Closures : 2

Small Rings : 2

Aromatic Rings : 2

Aromatic Atoms : 12

Sp3Atoms : 1

Symmetricatoms : 2

Amides : 1

Aromatic Nitrogens : 1

AcidicOxygens : 1

StereoCon :

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