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C25H23N3O2 4-[(Z)-[4-(9H-fluoren-9-yl)piperazin-4-ium-1-yl]iminomethyl]benzoate | Chemryt

4-[(Z)-[4-(9H-fluoren-9-yl)piperazin-4-ium-1-yl]iminomethyl]benzoate

Molecular Formula : C25H23N3O2 | Mutagenic : high | Tumorigenic : high | Reproductive Effective : |

MolName : 4-[(Z)-[4-(9H-fluoren-9-yl)piperazin-4-ium-1-yl]iminomethyl]benzoate

MolecularFormula : C25H23N3O2

Smiles : [O-]C(c1ccc(/C=N\N(CC2)CC[NH+]2C2c(cccc3)c3-c3c2cccc3)cc1)=O

InChI : InChI=1S/C25H23N3O2/c29-25(30)19-11-9-18(10-12-19)17-26-28-15-13-27(14-16-28)24-22-7-3-1-5-20(22)21-6-2-4-8-23(21)24/h1-12,17,24H,13-16H2,(H,29,30)

InChIK : BGVOSNVQWAJEBO-UHFFFAOYSA-N

TotalMolweight : 397.477

Molweight : 397.477

MonoisotopicMass : 397.179027

CLogP : 1.523

CLogS : -4.929

H Acceptors : 5

H Donors : 1

TotalSurfaceArea : 318

Relative PSA : 0.18858

PolarSurfaceArea : 60.17

Druglikeness : 3.8949

Mutagenic : high

Tumorigenic : high

Reproductive Effective : none

Irritant : none

Nasty Functions : imine/hydrazone of aldehyde

Shape Index : 0.56667

Fragments : 1

Non HAtoms : 30

NonCHAtoms : 5

Electronegative Atoms : 5

Rotatable Bond : 4

Rings Closures : 5

Small Rings : 5

Aromatic Rings : 3

Aromatic Atoms : 18

Sp3Atoms : 8

Symmetricatoms : 10

Amines : 1

AlkylAmines : 1

BasicNitrogens : 1

AcidicOxygens : 1

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