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C15H17NO3 (2Z)-2-(1,3-benzodioxol-5-ylmethylidene)-1-azabicyclo[2.2.2]octan-3-ol | Chemryt

(2Z)-2-(1,3-benzodioxol-5-ylmethylidene)-1-azabicyclo[2.2.2]octan-3-ol

Molecular Formula : C15H17NO3 | Mutagenic : none | Tumorigenic : none | Reproductive Effective : |

MolName : (2Z)-2-(1,3-benzodioxol-5-ylmethylidene)-1-azabicyclo[2.2.2]octan-3-ol

MolecularFormula : C15H17NO3

Smiles : OC(C1CCN2CC1)/C2=C/c(cc1)cc2c1OCO2

InChI : InChI=1S/C15H17NO3/c17-15-11-3-5-16(6-4-11)12(15)7-10-1-2-13-14(8-10)19-9-18-13/h1-2,7-8,11,15,17H,3-6,9H2/t15-/m0/s1

InChIK : GBJBJJSHFYGKAG-HNNXBMFYSA-N

TotalMolweight : 259.304

Molweight : 259.304

MonoisotopicMass : 259.120844

CLogP : 2.373

CLogS : -3.329

H Acceptors : 4

H Donors : 1

TotalSurfaceArea : 187.92

Relative PSA : 0.19503

PolarSurfaceArea : 41.93

Druglikeness : 4.9552

Mutagenic : none

Tumorigenic : none

Reproductive Effective : high

Irritant : none

Shape Index : 0.52632

Fragments : 1

Non HAtoms : 19

NonCHAtoms : 4

Electronegative Atoms : 4

StereoCenters : 1

Rotatable Bond : 1

Rings Closures : 4

Small Rings : 5

Aromatic Rings : 1

Aromatic Atoms : 6

Sp3Atoms : 11

Symmetricatoms : 2

BasicNitrogens : 1

StereoCon : racemate

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