3-nitro-N-[(Z)-[5-(trihydroxy-lambda4-sulfanyl)furan-2-yl]methylideneamino]benzamide
Formula:C12H11N3O7S
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
3-nitro-N-[(Z)-[5-(trihydroxy-lambda4-sulfanyl)furan-2-yl]methylideneamino]benzamide is a drug-like molecule.
| MolName | 3-nitro-N-[(Z)-[5-(trihydroxy-lambda4-sulfanyl)furan-2-yl]methylideneamino]benzamide |
| MolecularFormula | C12H11N3O7S |
| Smiles | [O-][N+](c1cccc(C(N/N=C\c(o2)ccc2S(O)(O)O)=O)c1)=O |
| InChI | InChI=1S/C12H11N3O7S/c16-12(8-2-1-3-9(6-8)15(17)18)14-13-7-10-4-5-11(22-10)23(19,20)21/h1-7,19-21H,(H,14,16) |
| InChIK | GEIARNYYOOKBSO-UHFFFAOYSA-N |
| TotalMolweight | 341.299 |
| Molweight | 341.299 |
| MonoisotopicMass | 341.031772 |
| CLogP | -2.3038 |
| CLogS | -2.877 |
| H Acceptors | 10 |
| H Donors | 4 |
| TotalSurfaceArea | 232.9 |
| Relative PSA | 0.51456 |
| PolarSurfaceArea | 161.11 |
| Druglikeness | 1.4223 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.6087 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 5 |
| Symmetricatoms | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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