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C12H14N2O2 | Cheminformatics

(NZ)-N-[(2Z)-2-(furan-2-ylmethylidene)-1-azabicyclo[2.2.2]octan-3-ylidene]hydroxylamine

Molecular Formula : C12H14N2O2 | Mutagenic : high | Tumorigenic : none | Reproductive Effective : none |

MolName : (NZ)-N-[(2Z)-2-(furan-2-ylmethylidene)-1-azabicyclo[2.2.2]octan-3-ylidene]hydroxylamine

MolecularFormula : C12H14N2O2

Smiles : O/N=C(/C1CCN2CC1)\C2=C\c1ccco1

InChI : InChI=1S/C12H14N2O2/c15-13-12-9-3-5-14(6-4-9)11(12)8-10-2-1-7-16-10/h1-2,7-9,15H,3-6H2

InChIK : GDVIGVSHAWGESR-UHFFFAOYSA-N

TotalMolweight : 218.255

Molweight : 218.255

MonoisotopicMass : 218.105528

CLogP : 2.2154

CLogS : -2.726

H Acceptors : 4

H Donors : 1

TotalSurfaceArea : 167.82

Relative PSA : 0.25188

PolarSurfaceArea : 48.97

Druglikeness : 4.3362

Mutagenic : high

Tumorigenic : none

Reproductive Effective : none

Irritant : none

Nasty Functions :

Shape Index : 0.5

Fragments : 1

Non HAtoms : 16

NonCHAtoms : 4

Electronegative Atoms : 4

Rotatable Bond : 1

Rings Closures : 3

Small Rings : 4

Aromatic Rings : 1

Aromatic Atoms : 5

Sp3Atoms : 7

Symmetricatoms : 2

BasicNitrogens : 1

StereoCon :

Request More Details | (NZ)-N-[(2Z)-2-(furan-2-ylmethylidene)-1-azabicyclo[2.2.2]octan-3-ylidene]hydroxylamine


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