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C22H24N3S 4-phenyl-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]-1,3-thiazole | Chemryt

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

Molecular Formula : C22H24N3S | Mutagenic : none | Tumorigenic : none | Reproductive Effective : |

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

MolecularFormula : C22H24N3S

Smiles : C(/C=C/c1ccccc1)[NH+](CC1)CCN1c1nc(-c2ccccc2)cs1

InChI : InChI=1S/C22H23N3S/c1-3-8-19(9-4-1)10-7-13-24-14-16-25(17-15-24)22-23-21(18-26-22)20-11-5-2-6-12-20/h1-12,18H,13-17H2/p+1

InChIK : DYCSXVJWWWGHHQ-UHFFFAOYSA-O

TotalMolweight : 362.52

Molweight : 362.52

MonoisotopicMass : 362.169092

CLogP : 2.8831

CLogS : -4.572

H Acceptors : 3

H Donors : 1

TotalSurfaceArea : 303.92

Relative PSA : 0.17264

PolarSurfaceArea : 48.81

Druglikeness : 3.4965

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : none

Shape Index : 0.69231

Fragments : 1

Non HAtoms : 26

NonCHAtoms : 4

Electronegative Atoms : 4

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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