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

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

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