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C21H20N2O2ClF [(2Z)-2-[(2-chloro-6-fluorophenyl)methylidene]-1-azabicyclo[2.2.2]octan-3-yl] N-phenylcarbamate | Chemryt

[(2Z)-2-[(2-chloro-6-fluorophenyl)methylidene]-1-azabicyclo[2.2.2]octan-3-yl] N-phenylcarbamate

Molecular Formula : C21H20N2O2ClF | Mutagenic : none | Tumorigenic : none | Reproductive Effective : |

MolName : [(2Z)-2-[(2-chloro-6-fluorophenyl)methylidene]-1-azabicyclo[2.2.2]octan-3-yl] N-phenylcarbamate

MolecularFormula : C21H20N2O2ClF

Smiles : O=C(Nc1ccccc1)OC(C1CCN2CC1)/C2=C/c(c(F)ccc1)c1Cl

InChI : InChI=1S/C21H20ClFN2O2/c22-17-7-4-8-18(23)16(17)13-19-20(14-9-11-25(19)12-10-14)27-21(26)24-15-5-2-1-3-6-15/h1-8,13-14,20H,9-12H2,(H,24,26)/t20-/m0/s1

InChIK : WDBVTUQTZYATPT-FQEVSTJZSA-N

TotalMolweight : 386.853

Molweight : 386.853

MonoisotopicMass : 386.119733

CLogP : 4.8907

CLogS : -5.764

H Acceptors : 4

H Donors : 1

TotalSurfaceArea : 282.05

Relative PSA : 0.13491

PolarSurfaceArea : 41.57

Druglikeness : -4.753

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : none

Shape Index : 0.51852

Fragments : 1

Non HAtoms : 27

NonCHAtoms : 6

Electronegative Atoms : 6

StereoCenters : 1

Rotatable Bond : 4

Rings Closures : 4

Small Rings : 5

Aromatic Rings : 2

Aromatic Atoms : 12

Sp3Atoms : 8

Symmetricatoms : 4

Amides : 1

BasicNitrogens : 1

StereoCon : racemate

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