N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]-2-sulfamoylbenzamide
Formula:C12H10N4O6S
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]-2-sulfamoylbenzamide is a drug-like molecule.
| MolName | N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]-2-sulfamoylbenzamide |
| MolecularFormula | C12H10N4O6S |
| Smiles | NS(c(cccc1)c1C(N/N=C\c1ccc([N+]([O-])=O)o1)=O)(=O)=O |
| InChI | InChI=1S/C12H10N4O6S/c13-23(20,21)10-4-2-1-3-9(10)12(17)15-14-7-8-5-6-11(22-8)16(18)19/h1-7H,(H,15,17)(H2,13,20,21) |
| InChIK | TVCHMARHFLVARS-UHFFFAOYSA-N |
| TotalMolweight | 338.299 |
| Molweight | 338.299 |
| MonoisotopicMass | 338.032106 |
| CLogP | 0.5841 |
| CLogS | -4.287 |
| H Acceptors | 10 |
| H Donors | 2 |
| TotalSurfaceArea | 237.45 |
| Relative PSA | 0.52386 |
| PolarSurfaceArea | 168.96 |
| Druglikeness | 3.6712 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.56522 |
| 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 | 2 |
| Symmetricatoms | 1 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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