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C18H18NO2Cl (2Z)-2-[[5-(4-chlorophenyl)furan-2-yl]methylidene]-1-azabicyclo[2.2.2]octan-3-ol | Chemryt

(2Z)-2-[[5-(4-chlorophenyl)furan-2-yl]methylidene]-1-azabicyclo[2.2.2]octan-3-ol

Molecular Formula : C18H18NO2Cl | Mutagenic : low | Tumorigenic : high | Reproductive Effective : |

MolName : (2Z)-2-[[5-(4-chlorophenyl)furan-2-yl]methylidene]-1-azabicyclo[2.2.2]octan-3-ol

MolecularFormula : C18H18NO2Cl

Smiles : OC(C1CCN2CC1)/C2=C/c1ccc(-c(cc2)ccc2Cl)o1

InChI : InChI=1S/C18H18ClNO2/c19-14-3-1-12(2-4-14)17-6-5-15(22-17)11-16-18(21)13-7-9-20(16)10-8-13/h1-6,11,13,18,21H,7-10H2/t18-/m0/s1

InChIK : RNNIXJCZFLCQKU-SFHVURJKSA-N

TotalMolweight : 315.799

Molweight : 315.799

MonoisotopicMass : 315.102606

CLogP : 3.8065

CLogS : -4.814

H Acceptors : 3

H Donors : 1

TotalSurfaceArea : 232.53

Relative PSA : 0.13228

PolarSurfaceArea : 36.61

Druglikeness : 5.8739

Mutagenic : low

Tumorigenic : high

Reproductive Effective : none

Irritant : none

Shape Index : 0.59091

Fragments : 1

Non HAtoms : 22

NonCHAtoms : 4

Electronegative Atoms : 4

StereoCenters : 1

Rotatable Bond : 2

Rings Closures : 4

Small Rings : 5

Aromatic Rings : 2

Aromatic Atoms : 11

Sp3Atoms : 8

Symmetricatoms : 4

BasicNitrogens : 1

StereoCon : racemate

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