(NE)-N-(2,3-dichloro-4-oxonaphthalen-1-ylidene)benzenesulfonamide
Formula:C16H9NO3Cl2S
Mutagenic:low
Tumorigenic:low
Reproductive Effective:none
(NE)-N-(2,3-dichloro-4-oxonaphthalen-1-ylidene)benzenesulfonamide is a drug-like molecule.
| MolName | (NE)-N-(2,3-dichloro-4-oxonaphthalen-1-ylidene)benzenesulfonamide |
| MolecularFormula | C16H9NO3Cl2S |
| Smiles | O=C(c(cccc1)c1/C1=N\S(c2ccccc2)(=O)=O)C(Cl)=C1Cl |
| InChI | InChI=1S/C16H9Cl2NO3S/c17-13-14(18)16(20)12-9-5-4-8-11(12)15(13)19-23(21,22)10-6-2-1-3-7-10/h1-9H |
| InChIK | WBXHNIKNDYFSJC-UHFFFAOYSA-N |
| TotalMolweight | 366.223 |
| Molweight | 366.223 |
| MonoisotopicMass | 364.968018 |
| CLogP | 3.4806 |
| CLogS | -5.316 |
| H Acceptors | 4 |
| TotalSurfaceArea | 242.58 |
| Relative PSA | 0.21902 |
| PolarSurfaceArea | 71.95 |
| Druglikeness | -8.603 |
| Mutagenic | low |
| Tumorigenic | low |
| Reproductive Effective | none |
| Irritant | low |
| Nasty Functions | 1,2-dihalo-alkene; 2-halo-enone; 3-halo-enone |
| Shape Index | 0.47826 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 1 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 3 |
| BasicNitrogens | 1 |
| StereoCon |
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