| MolName | (NZ)-N-[3-(4-chloroanilino)-4-oxonaphthalen-1-ylidene]naphthalene-2-sulfonamide |
| MolecularFormula | C26H17N2O3ClS |
| Smiles | O=C(c1c2cccc1)C(Nc(cc1)ccc1Cl)=C/C2=N/S(c1cc2ccccc2cc1)(=O)=O |
| InChI | InChI=1S/C26H17ClN2O3S/c27-19-10-12-20(13-11-19)28-25-16-24(22-7-3-4-8-23(22)26(25)30)29-33(31,32)21-14-9-17-5-1-2-6-18(17)15-21/h1-16,28H |
| InChIK | AIBMCWTWRJJHBP-UHFFFAOYSA-N |
| TotalMolweight | 472.951 |
| Molweight | 472.951 |
| MonoisotopicMass | 472.06484 |
| CLogP | 5.605 |
| CLogS | -7.706 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 334.77 |
| Relative PSA | 0.19294 |
| PolarSurfaceArea | 83.98 |
| Druglikeness | 0.41792 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.51515 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 3 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Sp3Atoms | 1 |
| Symmetricatoms | 3 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - (NZ)-N-[3-(4-chloroanilino)-4-oxonaphthalen-1-ylidene]naphthalene-2-sulfonamide | 2 - (NZ)-N-[3-(4-chloroanilino)-4-oxonaphthalen-1-ylidene]naphthalene-2-sulfonamide