4-nitro-N-[(Z)-[5-(4-sulfamoylphenyl)furan-2-yl]methylideneamino]benzamide
Formula:C18H14N4O6S
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
4-nitro-N-[(Z)-[5-(4-sulfamoylphenyl)furan-2-yl]methylideneamino]benzamide is a drug-like molecule.
| MolName | 4-nitro-N-[(Z)-[5-(4-sulfamoylphenyl)furan-2-yl]methylideneamino]benzamide |
| MolecularFormula | C18H14N4O6S |
| Smiles | NS(c(cc1)ccc1-c1ccc(/C=N\NC(c(cc2)ccc2[N+]([O-])=O)=O)o1)(=O)=O |
| InChI | InChI=1S/C18H14N4O6S/c19-29(26,27)16-8-3-12(4-9-16)17-10-7-15(28-17)11-20-21-18(23)13-1-5-14(6-2-13)22(24)25/h1-11H,(H,21,23)(H2,19,26,27) |
| InChIK | AFHQGDKTNRIJDR-UHFFFAOYSA-N |
| TotalMolweight | 414.397 |
| Molweight | 414.397 |
| MonoisotopicMass | 414.063406 |
| CLogP | 1.9829 |
| CLogS | -5.54 |
| H Acceptors | 10 |
| H Donors | 2 |
| TotalSurfaceArea | 297.21 |
| Relative PSA | 0.41853 |
| PolarSurfaceArea | 168.96 |
| Druglikeness | -4.3064 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.65517 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 2 |
| Symmetricatoms | 5 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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