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C14H15N3O3 | Cheminformatics

(NE)-N-[(2E)-2-[(3-nitrophenyl)methylidene]-1-azabicyclo[2.2.2]octan-3-ylidene]hydroxylamine

Molecular Formula : C14H15N3O3 | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |

MolName : (NE)-N-[(2E)-2-[(3-nitrophenyl)methylidene]-1-azabicyclo[2.2.2]octan-3-ylidene]hydroxylamine

MolecularFormula : C14H15N3O3

Smiles : [O-][N+](c1cc(/C=C2/N(CC3)CCC3/C2=N\O)ccc1)=O

InChI : InChI=1S/C14H15N3O3/c18-15-14-11-4-6-16(7-5-11)13(14)9-10-2-1-3-12(8-10)17(19)20/h1-3,8-9,11,18H,4-7H2

InChIK : ZJWLLSOPNNQALB-UHFFFAOYSA-N

TotalMolweight : 273.291

Molweight : 273.291

MonoisotopicMass : 273.111342

CLogP : 1.1786

CLogS : -3.504

H Acceptors : 6

H Donors : 1

TotalSurfaceArea : 201.8

Relative PSA : 0.29029

PolarSurfaceArea : 81.65

Druglikeness : -0.3897

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : none

Nasty Functions : aromatic nitro

Shape Index : 0.5

Fragments : 1

Non HAtoms : 20

NonCHAtoms : 6

Electronegative Atoms : 6

Rotatable Bond : 2

Rings Closures : 3

Small Rings : 4

Aromatic Rings : 1

Aromatic Atoms : 6

Sp3Atoms : 8

Symmetricatoms : 2

BasicNitrogens : 1

AcidicOxygens : 1

StereoCon :

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