N-[(Z)-[5-(2-bromo-4-nitrophenyl)furan-2-yl]methylideneamino]naphthalene-2-sulfonamide
Formula:C21H14N3O5BrS
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-[5-(2-bromo-4-nitrophenyl)furan-2-yl]methylideneamino]naphthalene-2-sulfonamide is not a drug-like molecule.
| MolName | N-[(Z)-[5-(2-bromo-4-nitrophenyl)furan-2-yl]methylideneamino]naphthalene-2-sulfonamide |
| MolecularFormula | C21H14N3O5BrS |
| Smiles | [O-][N+](c(cc1)cc(Br)c1-c1ccc(/C=N\NS(c2cc3ccccc3cc2)(=O)=O)o1)=O |
| InChI | InChI=1S/C21H14BrN3O5S/c22-20-12-16(25(26)27)6-9-19(20)21-10-7-17(30-21)13-23-24-31(28,29)18-8-5-14-3-1-2-4-15(14)11-18/h1-13,24H |
| InChIK | ZHNAJVGRMSXLRK-UHFFFAOYSA-N |
| TotalMolweight | 500.328 |
| Molweight | 500.328 |
| MonoisotopicMass | 498.983753 |
| CLogP | 4.214 |
| CLogS | -6.276 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 324.17 |
| Relative PSA | 0.29639 |
| PolarSurfaceArea | 125.87 |
| Druglikeness | -5.5617 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; imine/hydrazone of aldehyde |
| Shape Index | 0.6129 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 2 |
| Symmetricatoms | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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