1-nitro-2-[(E)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]guanidine
Molecular Formula : C12H10N6O5 | Mutagenic : high | Tumorigenic : high | Reproductive Effective : none |1-nitro-2-[(E)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]guanidine is not a drug-like molecule.
MolName : 1-nitro-2-[(E)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]guanidine |
MolecularFormula : C12H10N6O5 |
Smiles : N/C(/N[N+]([O-])=O)=N/N=C/c1ccc(-c(cc2)ccc2[N+]([O-])=O)o1 |
InChI : InChI=1S/C12H10N6O5/c13-12(16-18(21)22)15-14-7-10-5-6-11(23-10)8-1-3-9(4-2-8)17(19)20/h1-7H,(H3,13,15,16) |
InChIK : USTUZACYWHRDNL-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 : 0.69565 |
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 |
Symmetricatoms : 2 |
BasicNitrogens : 1 |
AcidicOxygens : 2 |
StereoCon : |