1-nitro-2-[(E)-[5-(3-nitrophenyl)furan-2-yl]methylideneamino]guanidine
Formula:C12H10N6O5
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
1-nitro-2-[(E)-[5-(3-nitrophenyl)furan-2-yl]methylideneamino]guanidine is not a drug-like molecule.
| MolName | 1-nitro-2-[(E)-[5-(3-nitrophenyl)furan-2-yl]methylideneamino]guanidine |
| MolecularFormula | C12H10N6O5 |
| Smiles | N/C(/N[N+]([O-])=O)=N/N=C/c1ccc(-c2cc([N+]([O-])=O)ccc2)o1 |
| InChI | InChI=1S/C12H10N6O5/c13-12(16-18(21)22)15-14-7-10-4-5-11(23-10)8-2-1-3-9(6-8)17(19)20/h1-7H,(H3,13,15,16) |
| InChIK | RODAAYVFYDKHGT-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 | 0.65217 |
| 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 |
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