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

C19H21N3F3 | Cheminformatics

(Z)-N-(4-benzylpiperazin-4-ium-1-yl)-1-[4-(trifluoromethyl)phenyl]methanimine

Molecular Formula : C19H21N3F3 | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |

MolName : (Z)-N-(4-benzylpiperazin-4-ium-1-yl)-1-[4-(trifluoromethyl)phenyl]methanimine

MolecularFormula : C19H21N3F3

Smiles : FC(c1ccc(/C=N\N2CC[NH+](Cc3ccccc3)CC2)cc1)(F)F

InChI : InChI=1S/C19H20F3N3/c20-19(21,22)18-8-6-16(7-9-18)14-23-25-12-10-24(11-13-25)15-17-4-2-1-3-5-17/h1-9,14H,10-13,15H2/p+1

InChIK : UCWWPUJMPSQTMM-UHFFFAOYSA-O

TotalMolweight : 348.391

Molweight : 348.391

MonoisotopicMass : 348.168756

CLogP : 1.7576

CLogS : -3.434

H Acceptors : 3

H Donors : 1

TotalSurfaceArea : 277.18

Relative PSA : 0.11779

PolarSurfaceArea : 20.04

Druglikeness : -3.3402

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : none

Nasty Functions : imine/hydrazone of aldehyde

Shape Index : 0.68

Fragments : 1

Non HAtoms : 25

NonCHAtoms : 6

Electronegative Atoms : 6

Rotatable Bond : 5

Rings Closures : 3

Small Rings : 3

Aromatic Rings : 2

Aromatic Atoms : 12

Sp3Atoms : 8

Symmetricatoms : 8

Amines : 1

AlkylAmines : 1

BasicNitrogens : 1

StereoCon :

Request More Details | (Z)-N-(4-benzylpiperazin-4-ium-1-yl)-1-[4-(trifluoromethyl)phenyl]methanimine


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