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C22H24N2OCl (E)-3-(2-chlorophenyl)-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]prop-2-en-1-one | Chemryt

(E)-3-(2-chlorophenyl)-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]prop-2-en-1-one

Molecular Formula : C22H24N2OCl | Mutagenic : none | Tumorigenic : high | Reproductive Effective : |

MolName : (E)-3-(2-chlorophenyl)-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]prop-2-en-1-one

MolecularFormula : C22H24N2OCl

Smiles : O=C(/C=C/c(cccc1)c1Cl)N1CC[NH+](C/C=C/c2ccccc2)CC1

InChI : InChI=1S/C22H23ClN2O/c23-21-11-5-4-10-20(21)12-13-22(26)25-17-15-24(16-18-25)14-6-9-19-7-2-1-3-8-19/h1-13H,14-18H2/p+1

InChIK : HIXMNYNDZRVKFK-UHFFFAOYSA-O

TotalMolweight : 367.899

Molweight : 367.899

MonoisotopicMass : 367.157715

CLogP : 2.4481

CLogS : -3.774

H Acceptors : 3

H Donors : 1

TotalSurfaceArea : 309.13

Relative PSA : 0.11057

PolarSurfaceArea : 24.75

Druglikeness : 1.7574

Mutagenic : none

Tumorigenic : high

Reproductive Effective : none

Irritant : none

Shape Index : 0.69231

Fragments : 1

Non HAtoms : 26

NonCHAtoms : 4

Electronegative Atoms : 4

Rotatable Bond : 5

Rings Closures : 3

Small Rings : 3

Aromatic Rings : 2

Aromatic Atoms : 12

Sp3Atoms : 6

Symmetricatoms : 4

Amides : 1

Amines : 1

AlkylAmines : 1

BasicNitrogens : 1

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