1-nitro-2-[(E)-[5-(2-nitrophenyl)furan-2-yl]methylideneamino]guanidine

Formula:C12H10N6O5 Mutagenic:high Tumorigenic:high Reproductive Effective:none 1-nitro-2-[(E)-[5-(2-nitrophenyl)furan-2-yl]methylideneamino]guanidine is not a drug-like molecule.

MolName	1-nitro-2-[(E)-[5-(2-nitrophenyl)furan-2-yl]methylideneamino]guanidine
MolecularFormula	C12H10N6O5
Smiles	N/C(/N[N+]([O-])=O)=N/N=C/c1ccc(-c(cccc2)c2[N+]([O-])=O)o1
InChI	InChI=1S/C12H10N6O5/c13-12(16-18(21)22)15-14-7-8-5-6-11(23-8)9-3-1-2-4-10(9)17(19)20/h1-7H,(H3,13,15,16)
InChIK	GKJHPPGDMROSDM-UHFFFAOYSA-N
TotalMolweight	318.248
Molweight	318.248
MonoisotopicMass	318.071269
CLogP	0.656
CLogS	-5.719
H Acceptors	11
H Donors	2
TotalSurfaceArea	237.76
Relative PSA	0.52448
PolarSurfaceArea	167.55
Druglikeness	-0.85508
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro; dimethylene-hydrazine; imine/hydrazone of aldehyde; N-nitro
Shape Index	0.6087
Fragments	1
Non HAtoms	23
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	4
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	2
BasicNitrogens	1
AcidicOxygens	2
StereoCon

Click to Load Molecule:

1 - 1-nitro-2-[(E)-[5-(2-nitrophenyl)furan-2-yl]methylideneamino]guanidine | 2 - 1-nitro-2-[(E)-[5-(2-nitrophenyl)furan-2-yl]methylideneamino]guanidine

Request More Details | 1-nitro-2-[(E)-[5-(2-nitrophenyl)furan-2-yl]methylideneamino]guanidine

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments