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C26H27N2O (4-phenylphenyl)-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]methanone | Chemryt

(4-phenylphenyl)-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]methanone

Molecular Formula : C26H27N2O | Mutagenic : none | Tumorigenic : none | Reproductive Effective : |

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

MolecularFormula : C26H27N2O

Smiles : O=C(c(cc1)ccc1-c1ccccc1)N1CC[NH+](C/C=C/c2ccccc2)CC1

InChI : InChI=1S/C26H26N2O/c29-26(25-15-13-24(14-16-25)23-11-5-2-6-12-23)28-20-18-27(19-21-28)17-7-10-22-8-3-1-4-9-22/h1-16H,17-21H2/p+1

InChIK : VBANWOHCRNNRNF-UHFFFAOYSA-O

TotalMolweight : 383.513

Molweight : 383.513

MonoisotopicMass : 383.212338

CLogP : 3.1721

CLogS : -4.754

H Acceptors : 3

H Donors : 1

TotalSurfaceArea : 326.97

Relative PSA : 0.10454

PolarSurfaceArea : 24.75

Druglikeness : 2.9416

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : none

Shape Index : 0.68966

Fragments : 1

Non HAtoms : 29

NonCHAtoms : 3

Electronegative Atoms : 3

Rotatable Bond : 5

Rings Closures : 4

Small Rings : 4

Aromatic Rings : 3

Aromatic Atoms : 18

Sp3Atoms : 6

Symmetricatoms : 8

Amides : 1

Amines : 1

AlkylAmines : 1

BasicNitrogens : 1

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