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

C17H12N3O3F | Cheminformatics
Menu

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

Molecular Formula : C17H12N3O3F | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |
4-cyano-N-[(Z)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]-2-fluorobenzamide is a drug-like molecule.

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

MolecularFormula : C17H12N3O3F

Smiles : N#Cc(cc1)cc(F)c1C(N/N=C\c(cc1)cc2c1OCCO2)=O

InChI : InChI=1S/C17H12FN3O3/c18-14-7-11(9-19)1-3-13(14)17(22)21-20-10-12-2-4-15-16(8-12)24-6-5-23-15/h1-4,7-8,10H,5-6H2,(H,21,22)

InChIK : YXLHUBSJLMLGRR-UHFFFAOYSA-N

TotalMolweight : 325.298

Molweight : 325.298

MonoisotopicMass : 325.08627

CLogP : 3.1168

CLogS : -4.99

H Acceptors : 6

H Donors : 1

TotalSurfaceArea : 249.07

Relative PSA : 0.27932

PolarSurfaceArea : 83.71

Druglikeness : -8.4795

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : none

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

Shape Index : 0.66667

Fragments : 1

Non HAtoms : 24

NonCHAtoms : 7

Electronegative Atoms : 7

Rotatable Bond : 3

Rings Closures : 3

Small Rings : 3

Aromatic Rings : 2

Aromatic Atoms : 12

Sp3Atoms : 4

StereoCon :

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

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


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