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C25H23N3F3 | Cheminformatics
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(Z)-N-[4-(9H-fluoren-9-yl)piperazin-4-ium-1-yl]-1-[4-(trifluoromethyl)phenyl]methanimine

Molecular Formula : C25H23N3F3 | Mutagenic : high | Tumorigenic : high | Reproductive Effective : none |
(Z)-N-[4-(9H-fluoren-9-yl)piperazin-4-ium-1-yl]-1-[4-(trifluoromethyl)phenyl]methanimine is a drug-like molecule.

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

MolecularFormula : C25H23N3F3

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

InChI : InChI=1S/C25H22F3N3/c26-25(27,28)19-11-9-18(10-12-19)17-29-31-15-13-30(14-16-31)24-22-7-3-1-5-20(22)21-6-2-4-8-23(21)24/h1-12,17,24H,13-16H2/p+1

InChIK : OBMMSIXSLVUGHO-UHFFFAOYSA-O

TotalMolweight : 422.473

Molweight : 422.473

MonoisotopicMass : 422.184406

CLogP : 3.6474

CLogS : -5.694

H Acceptors : 3

H Donors : 1

TotalSurfaceArea : 322.18

Relative PSA : 0.10134

PolarSurfaceArea : 20.04

Druglikeness : -3.1816

Mutagenic : high

Tumorigenic : high

Reproductive Effective : none

Irritant : none

Nasty Functions : imine/hydrazone of aldehyde

Shape Index : 0.54839

Fragments : 1

Non HAtoms : 31

NonCHAtoms : 6

Electronegative Atoms : 6

Rotatable Bond : 4

Rings Closures : 5

Small Rings : 5

Aromatic Rings : 3

Aromatic Atoms : 18

Sp3Atoms : 8

Symmetricatoms : 12

Amines : 1

AlkylAmines : 1

BasicNitrogens : 1

StereoCon :

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