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C12H15N3 | Cheminformatics

3-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridine

Molecular Formula : C12H15N3 | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |

MolName : 3-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridine

MolecularFormula : C12H15N3

Smiles : C(CNCC1)C1c1c[nH]c2ncccc12

InChI : InChI=1S/C12H15N3/c1-2-10-11(8-15-12(10)14-5-1)9-3-6-13-7-4-9/h1-2,5,8-9,13H,3-4,6-7H2,(H,14,15)

InChIK : OUNKWLVIJBPPIF-UHFFFAOYSA-N

TotalMolweight : 201.272

Molweight : 201.272

MonoisotopicMass : 201.126597

CLogP : 1.8103

CLogS : -2.933

H Acceptors : 3

H Donors : 2

TotalSurfaceArea : 161.69

Relative PSA : 0.22525

PolarSurfaceArea : 40.71

Druglikeness : 0.69439

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : none

Nasty Functions :

Shape Index : 0.6

Fragments : 1

Non HAtoms : 15

NonCHAtoms : 3

Electronegative Atoms : 3

Rotatable Bond : 1

Rings Closures : 3

Small Rings : 3

Aromatic Rings : 2

Aromatic Atoms : 9

Sp3Atoms : 6

Symmetricatoms : 2

Amines : 1

AlkylAmines : 1

Aromatic Nitrogens : 2

BasicNitrogens : 1

StereoCon :

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