3-N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]-1,2,5-oxadiazole-3,4-diamine

Formula:C7H6N6O4 Mutagenic:high Tumorigenic:high Reproductive Effective:none 3-N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]-1,2,5-oxadiazole-3,4-diamine is a drug-like molecule.

MolName	3-N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]-1,2,5-oxadiazole-3,4-diamine
MolecularFormula	C7H6N6O4
Smiles	Nc1nonc1N/N=C\c1ccc([N+]([O-])=O)o1
InChI	InChI=1S/C7H6N6O4/c8-6-7(12-17-11-6)10-9-3-4-1-2-5(16-4)13(14)15/h1-3H,(H2,8,11)(H,10,12)
InChIK	RVVOCLGKOWCXCR-UHFFFAOYSA-N
TotalMolweight	238.163
Molweight	238.163
MonoisotopicMass	238.045054
CLogP	1.9962
CLogS	-3.185
H Acceptors	10
H Donors	2
TotalSurfaceArea	178.33
Relative PSA	0.66629
PolarSurfaceArea	148.29
Druglikeness	1.7852
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro; imine/hydrazone of aldehyde
Shape Index	0.64706
Fragments	1
Non HAtoms	17
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	4
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	10
Sp3Atoms	1
Aromatic Nitrogens	2
AcidicOxygens	1
StereoCon

Click to Load Molecule:

1 - 3-N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]-1,2,5-oxadiazole-3,4-diamine | 2 - 3-N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]-1,2,5-oxadiazole-3,4-diamine

Request More Details | 3-N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]-1,2,5-oxadiazole-3,4-diamine

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments