(NZ)-N-(3-anilino-4-oxonaphthalen-1-ylidene)benzenesulfonamide
Formula:C22H16N2O3S
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
(NZ)-N-(3-anilino-4-oxonaphthalen-1-ylidene)benzenesulfonamide is a drug-like molecule.
| MolName | (NZ)-N-(3-anilino-4-oxonaphthalen-1-ylidene)benzenesulfonamide |
| MolecularFormula | C22H16N2O3S |
| Smiles | O=C(c1c2cccc1)C(Nc1ccccc1)=C/C2=N/S(c1ccccc1)(=O)=O |
| InChI | InChI=1S/C22H16N2O3S/c25-22-19-14-8-7-13-18(19)20(15-21(22)23-16-9-3-1-4-10-16)24-28(26,27)17-11-5-2-6-12-17/h1-15,23H |
| InChIK | DTSAXMCEQRPBHH-UHFFFAOYSA-N |
| TotalMolweight | 388.446 |
| Molweight | 388.446 |
| MonoisotopicMass | 388.088163 |
| CLogP | 3.8046 |
| CLogS | -5.364 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 284.75 |
| Relative PSA | 0.22683 |
| PolarSurfaceArea | 83.98 |
| Druglikeness | -7.4202 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 1 |
| Symmetricatoms | 5 |
| BasicNitrogens | 1 |
| StereoCon |
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