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

C20H22N2OF (E)-1-(4-benzylpiperazin-4-ium-1-yl)-3-(4-fluorophenyl)prop-2-en-1-one | Chemryt

(E)-1-(4-benzylpiperazin-4-ium-1-yl)-3-(4-fluorophenyl)prop-2-en-1-one

Molecular Formula : C20H22N2OF | Mutagenic : none | Tumorigenic : none | Reproductive Effective : |

MolName : (E)-1-(4-benzylpiperazin-4-ium-1-yl)-3-(4-fluorophenyl)prop-2-en-1-one

MolecularFormula : C20H22N2OF

Smiles : O=C(/C=C/c(cc1)ccc1F)N1CC[NH+](Cc2ccccc2)CC1

InChI : InChI=1S/C20H21FN2O/c21-19-9-6-17(7-10-19)8-11-20(24)23-14-12-22(13-15-23)16-18-4-2-1-3-5-18/h1-11H,12-16H2/p+1

InChIK : PCXSHRJJVQOMLT-UHFFFAOYSA-O

TotalMolweight : 325.406

Molweight : 325.406

MonoisotopicMass : 325.171616

CLogP : 1.1817

CLogS : -2.835

H Acceptors : 3

H Donors : 1

TotalSurfaceArea : 273.56

Relative PSA : 0.12495

PolarSurfaceArea : 24.75

Druglikeness : 0.36794

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : none

Shape Index : 0.70833

Fragments : 1

Non HAtoms : 24

NonCHAtoms : 4

Electronegative Atoms : 4

Rotatable Bond : 4

Rings Closures : 3

Small Rings : 3

Aromatic Rings : 2

Aromatic Atoms : 12

Sp3Atoms : 6

Symmetricatoms : 6

Amides : 1

Amines : 1

AlkylAmines : 1

BasicNitrogens : 1

Request More Details | (E)-1-(4-benzylpiperazin-4-ium-1-yl)-3-(4-fluorophenyl)prop-2-en-1-one


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