Chemryt - We contribute to the Chemicals, Pharmaceutical & Biotech industry using information technology

C14H15NOClF | Cheminformatics

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

Molecular Formula : C14H15NOClF | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |

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

MolecularFormula : C14H15NOClF

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

InChI : InChI=1S/C14H15ClFNO/c15-11-2-1-3-12(16)10(11)8-13-14(18)9-4-6-17(13)7-5-9/h1-3,8-9,14,18H,4-7H2/t14-/m0/s1

InChIK : VFXZDJWKCIRXPG-AWEZNQCLSA-N

TotalMolweight : 267.73

Molweight : 267.73

MonoisotopicMass : 267.082619

CLogP : 2.9684

CLogS : -3.668

H Acceptors : 2

H Donors : 1

TotalSurfaceArea : 189.43

Relative PSA : 0.087895

PolarSurfaceArea : 23.47

Druglikeness : 3.7585

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : none

Nasty Functions :

Shape Index : 0.5

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

Request More Details | (2Z)-2-[(2-chloro-6-fluorophenyl)methylidene]-1-azabicyclo[2.2.2]octan-3-ol


SKU Product Name Product Unit Qty Supplier Email
User Name
User Email
Additional Comments