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

C14H10N2O4Br2 | Cheminformatics
Menu

N-[(Z)-(4,5-dibromofuran-2-yl)methylideneamino]-2,3-dihydro-1,4-benzodioxine-6-carboxamide

Molecular Formula : C14H10N2O4Br2 | Mutagenic : high | Tumorigenic : none | Reproductive Effective : none |
N-[(Z)-(4,5-dibromofuran-2-yl)methylideneamino]-2,3-dihydro-1,4-benzodioxine-6-carboxamide is a drug-like molecule.

MolName : N-[(Z)-(4,5-dibromofuran-2-yl)methylideneamino]-2,3-dihydro-1,4-benzodioxine-6-carboxamide

MolecularFormula : C14H10N2O4Br2

Smiles : O=C(c(cc1)cc2c1OCCO2)N/N=C\c(o1)cc(Br)c1Br

InChI : InChI=1S/C14H10Br2N2O4/c15-10-6-9(22-13(10)16)7-17-18-14(19)8-1-2-11-12(5-8)21-4-3-20-11/h1-2,5-7H,3-4H2,(H,18,19)

InChIK : NBSXJRVUFKLMBN-UHFFFAOYSA-N

TotalMolweight : 430.051

Molweight : 430.051

MonoisotopicMass : 427.90073

CLogP : 3.9169

CLogS : -5.016

H Acceptors : 6

H Donors : 1

TotalSurfaceArea : 247.96

Relative PSA : 0.28279

PolarSurfaceArea : 73.06

Druglikeness : -8.0035

Mutagenic : high

Tumorigenic : none

Reproductive Effective : none

Irritant : none

Nasty Functions : 1,2-dihalo-alkene; acyl-hydrazone; imine/hydrazone of aldehyde

Shape Index : 0.63636

Fragments : 1

Non HAtoms : 22

NonCHAtoms : 8

Electronegative Atoms : 8

Rotatable Bond : 3

Rings Closures : 3

Small Rings : 3

Aromatic Rings : 2

Aromatic Atoms : 11

Sp3Atoms : 4

StereoCon :

Click to Load Molecule:
1 - N-[(Z)-(4,5-dibromofuran-2-yl)methylideneamino]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
2 - N-[(Z)-(4,5-dibromofuran-2-yl)methylideneamino]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
spacefill | wire | ball&stick | Iso-vdw | Opaque | Dot Surface| Mep | Translucent | Spin | Label On| Off

Request More Details | N-[(Z)-(4,5-dibromofuran-2-yl)methylideneamino]-2,3-dihydro-1,4-benzodioxine-6-carboxamide


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