(NZ)-N-(3-anilino-4-oxonaphthalen-1-ylidene)-4-fluorobenzenesulfonamide
Formula:C22H15N2O3FS
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
(NZ)-N-(3-anilino-4-oxonaphthalen-1-ylidene)-4-fluorobenzenesulfonamide is a drug-like molecule.
| MolName | (NZ)-N-(3-anilino-4-oxonaphthalen-1-ylidene)-4-fluorobenzenesulfonamide |
| MolecularFormula | C22H15N2O3FS |
| Smiles | O=C(c1c2cccc1)C(Nc1ccccc1)=C/C2=N/S(c(cc1)ccc1F)(=O)=O |
| InChI | InChI=1S/C22H15FN2O3S/c23-15-10-12-17(13-11-15)29(27,28)25-20-14-21(24-16-6-2-1-3-7-16)22(26)19-9-5-4-8-18(19)20/h1-14,24H |
| InChIK | MTJRSAYEZSHDLI-UHFFFAOYSA-N |
| TotalMolweight | 406.436 |
| Molweight | 406.436 |
| MonoisotopicMass | 406.078741 |
| CLogP | 3.9054 |
| CLogS | -5.678 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 291.1 |
| Relative PSA | 0.22188 |
| PolarSurfaceArea | 83.98 |
| Druglikeness | -2.265 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.51724 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| 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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