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C30H28N3 (Z)-N-[4-(9H-fluoren-9-yl)piperazin-4-ium-1-yl]-1-(4-phenylphenyl)methanimine | Chemryt

(Z)-N-[4-(9H-fluoren-9-yl)piperazin-4-ium-1-yl]-1-(4-phenylphenyl)methanimine

Molecular Formula : C30H28N3 | Mutagenic : high | Tumorigenic : high | Reproductive Effective : |

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

MolecularFormula : C30H28N3

Smiles : C(C[NH+](CC1)C2c(cccc3)c3-c3c2cccc3)N1/N=C\c(cc1)ccc1-c1ccccc1

InChI : InChI=1S/C30H27N3/c1-2-8-24(9-3-1)25-16-14-23(15-17-25)22-31-33-20-18-32(19-21-33)30-28-12-6-4-10-26(28)27-11-5-7-13-29(27)30/h1-17,22,30H,18-21H2/p+1

InChIK : VGQLRFOGNGBQPU-UHFFFAOYSA-O

TotalMolweight : 430.573

Molweight : 430.573

MonoisotopicMass : 430.228322

CLogP : 4.4583

CLogS : -7.002

H Acceptors : 3

H Donors : 1

TotalSurfaceArea : 352.48

Relative PSA : 0.092629

PolarSurfaceArea : 20.04

Druglikeness : 4.0084

Mutagenic : high

Tumorigenic : high

Reproductive Effective : none

Irritant : none

Nasty Functions : imine/hydrazone of aldehyde

Shape Index : 0.57576

Fragments : 1

Non HAtoms : 33

NonCHAtoms : 3

Electronegative Atoms : 3

Rotatable Bond : 4

Rings Closures : 6

Small Rings : 6

Aromatic Rings : 4

Aromatic Atoms : 24

Sp3Atoms : 7

Symmetricatoms : 12

Amines : 1

AlkylAmines : 1

BasicNitrogens : 1

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