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

C13H11N5O2 | Cheminformatics
Menu

N'-[(Z)-2-amino-1,2-dicyanoethenyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)methanimidamide

Molecular Formula : C13H11N5O2 | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |
N'-[(Z)-2-amino-1,2-dicyanoethenyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)methanimidamide is a drug-like molecule.

MolName : N'-[(Z)-2-amino-1,2-dicyanoethenyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)methanimidamide

MolecularFormula : C13H11N5O2

Smiles : N/C(/C#N)=C(/C#N)\N=C\Nc(cc1)cc2c1OCCO2

InChI : InChI=1S/C13H11N5O2/c14-6-10(16)11(7-15)18-8-17-9-1-2-12-13(5-9)20-4-3-19-12/h1-2,5,8H,3-4,16H2,(H,17,18)

InChIK : QTIOWBBMZPAVPW-UHFFFAOYSA-N

TotalMolweight : 269.263

Molweight : 269.263

MonoisotopicMass : 269.091275

CLogP : 0.8473

CLogS : -3.718

H Acceptors : 7

H Donors : 2

TotalSurfaceArea : 218.36

Relative PSA : 0.39091

PolarSurfaceArea : 116.45

Druglikeness : -12.401

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : none

Nasty Functions :

Shape Index : 0.65

Fragments : 1

Non HAtoms : 20

NonCHAtoms : 7

Electronegative Atoms : 7

Rotatable Bond : 2

Rings Closures : 2

Small Rings : 2

Aromatic Rings : 1

Aromatic Atoms : 6

Sp3Atoms : 4

BasicNitrogens : 2

StereoCon :

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

Request More Details | N'-[(Z)-2-amino-1,2-dicyanoethenyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)methanimidamide


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