(NZ)-4-chloro-N-(2,3-dichloro-4-oxonaphthalen-1-ylidene)benzenesulfonamide
Formula:C16H8NO3Cl3S
Mutagenic:low
Tumorigenic:low
Reproductive Effective:none
(NZ)-4-chloro-N-(2,3-dichloro-4-oxonaphthalen-1-ylidene)benzenesulfonamide is a drug-like molecule.
| MolName | (NZ)-4-chloro-N-(2,3-dichloro-4-oxonaphthalen-1-ylidene)benzenesulfonamide |
| MolecularFormula | C16H8NO3Cl3S |
| Smiles | O=C(c(cccc1)c1/C1=N/S(c(cc2)ccc2Cl)(=O)=O)C(Cl)=C1Cl |
| InChI | InChI=1S/C16H8Cl3NO3S/c17-9-5-7-10(8-6-9)24(22,23)20-15-11-3-1-2-4-12(11)16(21)14(19)13(15)18/h1-8H |
| InChIK | SBIAUONHCWQWNJ-UHFFFAOYSA-N |
| TotalMolweight | 400.669 |
| Molweight | 400.669 |
| MonoisotopicMass | 398.929045 |
| CLogP | 4.0866 |
| CLogS | -6.052 |
| H Acceptors | 4 |
| TotalSurfaceArea | 258 |
| Relative PSA | 0.20593 |
| PolarSurfaceArea | 71.95 |
| Druglikeness | -0.079746 |
| Mutagenic | low |
| Tumorigenic | low |
| Reproductive Effective | none |
| Irritant | low |
| Nasty Functions | 1,2-dihalo-alkene; 2-halo-enone; 3-halo-enone |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| 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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