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C26H26N3O2 (Z)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[4-(9H-fluoren-9-yl)piperazin-4-ium-1-yl]methanimine | Chemryt

(Z)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[4-(9H-fluoren-9-yl)piperazin-4-ium-1-yl]methanimine

Molecular Formula : C26H26N3O2 | Mutagenic : high | Tumorigenic : high | Reproductive Effective : |

MolName : (Z)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[4-(9H-fluoren-9-yl)piperazin-4-ium-1-yl]methanimine

MolecularFormula : C26H26N3O2

Smiles : C(C[NH+](CC1)C2c(cccc3)c3-c3c2cccc3)N1/N=C\c(cc1)cc2c1OCCO2

InChI : InChI=1S/C26H25N3O2/c1-3-7-22-20(5-1)21-6-2-4-8-23(21)26(22)28-11-13-29(14-12-28)27-18-19-9-10-24-25(17-19)31-16-15-30-24/h1-10,17-18,26H,11-16H2/p+1

InChIK : YJUXMRQATOCVAQ-UHFFFAOYSA-O

TotalMolweight : 412.511

Molweight : 412.511

MonoisotopicMass : 412.202502

CLogP : 2.7779

CLogS : -5.098

H Acceptors : 5

H Donors : 1

TotalSurfaceArea : 326.74

Relative PSA : 0.16114

PolarSurfaceArea : 38.5

Druglikeness : -3.4365

Mutagenic : high

Tumorigenic : high

Reproductive Effective : none

Irritant : none

Nasty Functions : imine/hydrazone of aldehyde

Shape Index : 0.54839

Fragments : 1

Non HAtoms : 31

NonCHAtoms : 5

Electronegative Atoms : 5

Rotatable Bond : 3

Rings Closures : 6

Small Rings : 6

Aromatic Rings : 3

Aromatic Atoms : 18

Sp3Atoms : 11

Symmetricatoms : 8

Amines : 1

AlkylAmines : 1

BasicNitrogens : 1

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