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C22H23N3FS 4-(4-fluorophenyl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]-1,3-thiazole | Chemryt

4-(4-fluorophenyl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]-1,3-thiazole

Molecular Formula : C22H23N3FS | Mutagenic : none | Tumorigenic : none | Reproductive Effective : |

MolName : 4-(4-fluorophenyl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]-1,3-thiazole

MolecularFormula : C22H23N3FS

Smiles : Fc(cc1)ccc1-c1csc(N2CC[NH+](C/C=C/c3ccccc3)CC2)n1

InChI : InChI=1S/C22H22FN3S/c23-20-10-8-19(9-11-20)21-17-27-22(24-21)26-15-13-25(14-16-26)12-4-7-18-5-2-1-3-6-18/h1-11,17H,12-16H2/p+1

InChIK : VJTZZMJRLADZRZ-UHFFFAOYSA-O

TotalMolweight : 380.51

Molweight : 380.51

MonoisotopicMass : 380.15967

CLogP : 2.9839

CLogS : -4.886

H Acceptors : 3

H Donors : 1

TotalSurfaceArea : 310.27

Relative PSA : 0.16911

PolarSurfaceArea : 48.81

Druglikeness : 2.1565

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : none

Shape Index : 0.7037

Fragments : 1

Non HAtoms : 27

NonCHAtoms : 5

Electronegative Atoms : 5

Rotatable Bond : 5

Rings Closures : 4

Small Rings : 4

Aromatic Rings : 3

Aromatic Atoms : 17

Sp3Atoms : 6

Symmetricatoms : 6

Amines : 1

AlkylAmines : 1

Aromatic Nitrogens : 1

BasicNitrogens : 2

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