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

C21H25N2O2 2-phenoxy-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]ethanone | Chemryt

2-phenoxy-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]ethanone

Molecular Formula : C21H25N2O2 | Mutagenic : none | Tumorigenic : none | Reproductive Effective : |

MolName : 2-phenoxy-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]ethanone

MolecularFormula : C21H25N2O2

Smiles : O=C(COc1ccccc1)N1CC[NH+](C/C=C/c2ccccc2)CC1

InChI : InChI=1S/C21H24N2O2/c24-21(18-25-20-11-5-2-6-12-20)23-16-14-22(15-17-23)13-7-10-19-8-3-1-4-9-19/h1-12H,13-18H2/p+1

InChIK : QUYBWLZKZHSABQ-UHFFFAOYSA-O

TotalMolweight : 337.442

Molweight : 337.442

MonoisotopicMass : 337.191603

CLogP : 1.0878

CLogS : -2.448

H Acceptors : 4

H Donors : 1

TotalSurfaceArea : 290.97

Relative PSA : 0.15184

PolarSurfaceArea : 33.98

Druglikeness : 2.8871

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : none

Shape Index : 0.72

Fragments : 1

Non HAtoms : 25

NonCHAtoms : 4

Electronegative Atoms : 4

Rotatable Bond : 6

Rings Closures : 3

Small Rings : 3

Aromatic Rings : 2

Aromatic Atoms : 12

Sp3Atoms : 8

Symmetricatoms : 6

Amides : 1

Amines : 1

AlkylAmines : 1

BasicNitrogens : 1

Request More Details | 2-phenoxy-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]ethanone


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