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C28H26N3 (Z)-N-[4-(9H-fluoren-9-yl)piperazin-4-ium-1-yl]-1-naphthalen-1-ylmethanimine | Chemryt

(Z)-N-[4-(9H-fluoren-9-yl)piperazin-4-ium-1-yl]-1-naphthalen-1-ylmethanimine

Molecular Formula : C28H26N3 | Mutagenic : high | Tumorigenic : high | Reproductive Effective : |

MolName : (Z)-N-[4-(9H-fluoren-9-yl)piperazin-4-ium-1-yl]-1-naphthalen-1-ylmethanimine

MolecularFormula : C28H26N3

Smiles : C(C[NH+](CC1)C2c(cccc3)c3-c3c2cccc3)N1/N=C\c1cccc2ccccc12

InChI : InChI=1S/C28H25N3/c1-2-11-23-21(8-1)9-7-10-22(23)20-29-31-18-16-30(17-19-31)28-26-14-5-3-12-24(26)25-13-4-6-15-27(25)28/h1-15,20,28H,16-19H2/p+1

InChIK : CTGXXIUKDMUJTI-UHFFFAOYSA-O

TotalMolweight : 404.535

Molweight : 404.535

MonoisotopicMass : 404.212672

CLogP : 3.9935

CLogS : -6.522

H Acceptors : 3

H Donors : 1

TotalSurfaceArea : 327.32

Relative PSA : 0.099749

PolarSurfaceArea : 20.04

Druglikeness : 4.0084

Mutagenic : high

Tumorigenic : high

Reproductive Effective : none

Irritant : none

Nasty Functions : imine/hydrazone of aldehyde

Shape Index : 0.51613

Fragments : 1

Non HAtoms : 31

NonCHAtoms : 3

Electronegative Atoms : 3

Rotatable Bond : 3

Rings Closures : 6

Small Rings : 6

Aromatic Rings : 4

Aromatic Atoms : 22

Sp3Atoms : 7

Symmetricatoms : 8

Amines : 1

AlkylAmines : 1

BasicNitrogens : 1

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