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

C17H13N2O3F3 | Cheminformatics
Menu

N-[(Z)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]-3-(trifluoromethyl)benzamide

Molecular Formula : C17H13N2O3F3 | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |
N-[(Z)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]-3-(trifluoromethyl)benzamide is a drug-like molecule.

MolName : N-[(Z)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]-3-(trifluoromethyl)benzamide

MolecularFormula : C17H13N2O3F3

Smiles : O=C(c1cccc(C(F)(F)F)c1)N/N=C\c(cc1)cc2c1OCCO2

InChI : InChI=1S/C17H13F3N2O3/c18-17(19,20)13-3-1-2-12(9-13)16(23)22-21-10-11-4-5-14-15(8-11)25-7-6-24-14/h1-5,8-10H,6-7H2,(H,22,23)

InChIK : YSGWLADDOBONHE-UHFFFAOYSA-N

TotalMolweight : 350.295

Molweight : 350.295

MonoisotopicMass : 350.087827

CLogP : 4.0287

CLogS : -4.681

H Acceptors : 5

H Donors : 1

TotalSurfaceArea : 250.47

Relative PSA : 0.22362

PolarSurfaceArea : 59.92

Druglikeness : -10.049

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : none

Nasty Functions : acyl-hydrazone; imine/hydrazone of aldehyde

Shape Index : 0.6

Fragments : 1

Non HAtoms : 25

NonCHAtoms : 8

Electronegative Atoms : 8

Rotatable Bond : 4

Rings Closures : 3

Small Rings : 3

Aromatic Rings : 2

Aromatic Atoms : 12

Sp3Atoms : 5

Symmetricatoms : 2

StereoCon :

Click to Load Molecule:
1 - N-[(Z)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]-3-(trifluoromethyl)benzamide
2 - N-[(Z)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]-3-(trifluoromethyl)benzamide
spacefill | wire | ball&stick | Iso-vdw | Opaque | Dot Surface| Mep | Translucent | Spin | Label On| Off

Request More Details | N-[(Z)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]-3-(trifluoromethyl)benzamide


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