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C14H15NOCl2 | Cheminformatics

(2E)-2-[(2,4-dichlorophenyl)methylidene]-1-azabicyclo[2.2.2]octan-3-ol

Molecular Formula : C14H15NOCl2 | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |

MolName : (2E)-2-[(2,4-dichlorophenyl)methylidene]-1-azabicyclo[2.2.2]octan-3-ol

MolecularFormula : C14H15NOCl2

Smiles : OC(C1CCN2CC1)/C2=C\c(ccc(Cl)c1)c1Cl

InChI : InChI=1S/C14H15Cl2NO/c15-11-2-1-10(12(16)8-11)7-13-14(18)9-3-5-17(13)6-4-9/h1-2,7-9,14,18H,3-6H2/t14-/m0/s1

InChIK : XAHDHBCPTITANJ-AWEZNQCLSA-N

TotalMolweight : 284.185

Molweight : 284.185

MonoisotopicMass : 283.053068

CLogP : 3.4736

CLogS : -4.09

H Acceptors : 2

H Donors : 1

TotalSurfaceArea : 198.5

Relative PSA : 0.083879

PolarSurfaceArea : 23.47

Druglikeness : 5.0985

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : none

Nasty Functions :

Shape Index : 0.55556

Fragments : 1

Non HAtoms : 18

NonCHAtoms : 4

Electronegative Atoms : 4

StereoCenters : 1

Rotatable Bond : 1

Rings Closures : 3

Small Rings : 4

Aromatic Rings : 1

Aromatic Atoms : 6

Sp3Atoms : 8

Symmetricatoms : 2

BasicNitrogens : 1

StereoCon : racemate

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