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C26H26N3 | Cheminformatics

(Z,E)-N-[4-(9H-fluoren-9-yl)piperazin-4-ium-1-yl]-3-phenylprop-2-en-1-imine

Molecular Formula : C26H26N3 | Mutagenic : high | Tumorigenic : high | Reproductive Effective : none |

MolName : (Z,E)-N-[4-(9H-fluoren-9-yl)piperazin-4-ium-1-yl]-3-phenylprop-2-en-1-imine

MolecularFormula : C26H26N3

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

InChI : InChI=1S/C26H25N3/c1-2-9-21(10-3-1)11-8-16-27-29-19-17-28(18-20-29)26-24-14-6-4-12-22(24)23-13-5-7-15-25(23)26/h1-16,26H,17-20H2/p+1

InChIK : YAGKEZIKQLVODH-UHFFFAOYSA-O

TotalMolweight : 380.513

Molweight : 380.513

MonoisotopicMass : 380.212672

CLogP : 2.8174

CLogS : -5.208

H Acceptors : 3

H Donors : 1

TotalSurfaceArea : 319.22

Relative PSA : 0.10228

PolarSurfaceArea : 20.04

Druglikeness : 3.9646

Mutagenic : high

Tumorigenic : high

Reproductive Effective : none

Irritant : none

Nasty Functions : imine/hydrazone of aldehyde

Shape Index : 0.58621

Fragments : 1

Non HAtoms : 29

NonCHAtoms : 3

Electronegative Atoms : 3

Rotatable Bond : 4

Rings Closures : 5

Small Rings : 5

Aromatic Rings : 3

Aromatic Atoms : 18

Sp3Atoms : 7

Symmetricatoms : 10

Amines : 1

AlkylAmines : 1

BasicNitrogens : 1

StereoCon :

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