(NZ)-N-(3-chloro-4-oxonaphthalen-1-ylidene)benzenesulfonamide
Formula:C16H10NO3ClS
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
(NZ)-N-(3-chloro-4-oxonaphthalen-1-ylidene)benzenesulfonamide is a drug-like molecule.
| MolName | (NZ)-N-(3-chloro-4-oxonaphthalen-1-ylidene)benzenesulfonamide |
| MolecularFormula | C16H10NO3ClS |
| Smiles | O=C(c1c2cccc1)C(Cl)=C/C2=N/S(c1ccccc1)(=O)=O |
| InChI | InChI=1S/C16H10ClNO3S/c17-14-10-15(12-8-4-5-9-13(12)16(14)19)18-22(20,21)11-6-2-1-3-7-11/h1-10H |
| InChIK | UZFYJDSIBAZRIC-UHFFFAOYSA-N |
| TotalMolweight | 331.778 |
| Molweight | 331.778 |
| MonoisotopicMass | 331.006991 |
| CLogP | 3.0613 |
| CLogS | -4.625 |
| H Acceptors | 4 |
| TotalSurfaceArea | 228.95 |
| Relative PSA | 0.23206 |
| PolarSurfaceArea | 71.95 |
| Druglikeness | -8.2351 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | 2-halo-enone |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| 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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