4-(4-hydroxyanilino)-N-(4-hydroxyphenyl)-3-nitrobenzenesulfonamide
Formula:C18H15N3O6S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-(4-hydroxyanilino)-N-(4-hydroxyphenyl)-3-nitrobenzenesulfonamide is a drug-like molecule.
| MolName | 4-(4-hydroxyanilino)-N-(4-hydroxyphenyl)-3-nitrobenzenesulfonamide |
| MolecularFormula | C18H15N3O6S |
| Smiles | [O-][N+](c(cc(cc1)S(Nc(cc2)ccc2O)(=O)=O)c1Nc(cc1)ccc1O)=O |
| InChI | InChI=1S/C18H15N3O6S/c22-14-5-1-12(2-6-14)19-17-10-9-16(11-18(17)21(24)25)28(26,27)20-13-3-7-15(23)8-4-13/h1-11,19-20,22-23H |
| InChIK | BZMNJADAIGWBPM-UHFFFAOYSA-N |
| TotalMolweight | 401.398 |
| Molweight | 401.398 |
| MonoisotopicMass | 401.068157 |
| CLogP | 1.8761 |
| CLogS | -4.395 |
| H Acceptors | 9 |
| H Donors | 4 |
| TotalSurfaceArea | 280.65 |
| Relative PSA | 0.38525 |
| PolarSurfaceArea | 152.86 |
| Druglikeness | -5.8875 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.60714 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 4 |
| Symmetricatoms | 5 |
| Amides | 1 |
| Amines | 1 |
| Aromatic Amines | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 4-(4-hydroxyanilino)-N-(4-hydroxyphenyl)-3-nitrobenzenesulfonamide | 2 - 4-(4-hydroxyanilino)-N-(4-hydroxyphenyl)-3-nitrobenzenesulfonamide
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