Chemryt - We contribute to the Chemicals, Pharmaceutical & Biotech industry using information technology

C25H23N3F3 | Cheminformatics
Menu

(Z)-N-[4-(9H-fluoren-9-yl)piperazin-4-ium-1-yl]-1-[2-(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-[2-(trifluoromethyl)phenyl]methanimine is a drug-like molecule.

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

MolecularFormula : C25H23N3F3

Smiles : FC(c1c(/C=N\N(CC2)CC[NH+]2C2c(cccc3)c3-c3c2cccc3)cccc1)(F)F

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

InChIK : WGUMCRAUDFSVIH-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 : 0.48387

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 : 10

Amines : 1

AlkylAmines : 1

BasicNitrogens : 1

StereoCon :

Click to Load Molecule:
1 - (Z)-N-[4-(9H-fluoren-9-yl)piperazin-4-ium-1-yl]-1-[2-(trifluoromethyl)phenyl]methanimine
2 - (Z)-N-[4-(9H-fluoren-9-yl)piperazin-4-ium-1-yl]-1-[2-(trifluoromethyl)phenyl]methanimine
spacefill | wire | ball&stick | Iso-vdw | Opaque | Dot Surface| Mep | Translucent | Spin | Label On| Off

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


SKU Product Name Product Unit Qty Supplier Email
User Name
User Email
Additional Comments