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C12H15N3OS | Cheminformatics

N-[(Z)-1-azabicyclo[2.2.2]octan-3-ylideneamino]thiophene-2-carboxamide

Molecular Formula : C12H15N3OS | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |

MolName : N-[(Z)-1-azabicyclo[2.2.2]octan-3-ylideneamino]thiophene-2-carboxamide

MolecularFormula : C12H15N3OS

Smiles : O=C(c1cccs1)N/N=C1/C(CC2)CCN2C1

InChI : InChI=1S/C12H15N3OS/c16-12(11-2-1-7-17-11)14-13-10-8-15-5-3-9(10)4-6-15/h1-2,7,9H,3-6,8H2,(H,14,16)

InChIK : NNDWAKPATRPAGY-UHFFFAOYSA-N

TotalMolweight : 249.337

Molweight : 249.337

MonoisotopicMass : 249.093582

CLogP : 1.8966

CLogS : -2.482

H Acceptors : 4

H Donors : 1

TotalSurfaceArea : 185.98

Relative PSA : 0.32219

PolarSurfaceArea : 72.94

Druglikeness : 9.2093

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : none

Nasty Functions : acyl-hydrazone

Shape Index : 0.58824

Fragments : 1

Non HAtoms : 17

NonCHAtoms : 5

Electronegative Atoms : 5

Rotatable Bond : 2

Rings Closures : 3

Small Rings : 4

Aromatic Rings : 1

Aromatic Atoms : 5

Sp3Atoms : 7

Symmetricatoms : 2

Amines : 1

AlkylAmines : 1

BasicNitrogens : 1

StereoCon :

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