(NZ)-4-chloro-N-(3-chloro-4-oxonaphthalen-1-ylidene)benzenesulfonamide
Formula:C16H9NO3Cl2S
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
(NZ)-4-chloro-N-(3-chloro-4-oxonaphthalen-1-ylidene)benzenesulfonamide is a drug-like molecule.
| MolName | (NZ)-4-chloro-N-(3-chloro-4-oxonaphthalen-1-ylidene)benzenesulfonamide |
| MolecularFormula | C16H9NO3Cl2S |
| Smiles | O=C(c1c2cccc1)C(Cl)=C/C2=N/S(c(cc1)ccc1Cl)(=O)=O |
| InChI | InChI=1S/C16H9Cl2NO3S/c17-10-5-7-11(8-6-10)23(21,22)19-15-9-14(18)16(20)13-4-2-1-3-12(13)15/h1-9H |
| InChIK | LXVBTGUJNQBBFO-UHFFFAOYSA-N |
| TotalMolweight | 366.223 |
| Molweight | 366.223 |
| MonoisotopicMass | 364.968018 |
| CLogP | 3.6673 |
| CLogS | -5.361 |
| H Acceptors | 4 |
| TotalSurfaceArea | 244.37 |
| Relative PSA | 0.21742 |
| PolarSurfaceArea | 71.95 |
| Druglikeness | 0.24865 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | 2-halo-enone |
| Shape Index | 0.52174 |
| 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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