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C24H24N3O | Cheminformatics

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

Molecular Formula : C24H24N3O | Mutagenic : high | Tumorigenic : high | Reproductive Effective : none |

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

MolecularFormula : C24H24N3O

Smiles : C(C[NH+](CC1)C2c(cccc3)c3-c3c2cccc3)N1/N=C\C=C\c1ccco1

InChI : InChI=1S/C24H23N3O/c1-3-11-22-20(9-1)21-10-2-4-12-23(21)24(22)26-14-16-27(17-15-26)25-13-5-7-19-8-6-18-28-19/h1-13,18,24H,14-17H2/p+1

InChIK : JAZXDODTSZKGSQ-UHFFFAOYSA-O

TotalMolweight : 370.475

Molweight : 370.475

MonoisotopicMass : 370.191937

CLogP : 2.0061

CLogS : -4.89

H Acceptors : 4

H Donors : 1

TotalSurfaceArea : 308.91

Relative PSA : 0.15137

PolarSurfaceArea : 33.18

Druglikeness : 3.6185

Mutagenic : high

Tumorigenic : high

Reproductive Effective : none

Irritant : none

Nasty Functions : imine/hydrazone of aldehyde

Shape Index : 0.57143

Fragments : 1

Non HAtoms : 28

NonCHAtoms : 4

Electronegative Atoms : 4

Rotatable Bond : 4

Rings Closures : 5

Small Rings : 5

Aromatic Rings : 3

Aromatic Atoms : 17

Sp3Atoms : 7

Symmetricatoms : 8

Amines : 1

AlkylAmines : 1

BasicNitrogens : 1

StereoCon :

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