(NZ)-N-(3-anilino-4-oxonaphthalen-1-ylidene)thiophene-2-sulfonamide
Formula:C20H14N2O3S2
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
(NZ)-N-(3-anilino-4-oxonaphthalen-1-ylidene)thiophene-2-sulfonamide is a drug-like molecule.
| MolName | (NZ)-N-(3-anilino-4-oxonaphthalen-1-ylidene)thiophene-2-sulfonamide |
| MolecularFormula | C20H14N2O3S2 |
| Smiles | O=C(c1c2cccc1)C(Nc1ccccc1)=C/C2=N/S(c1cccs1)(=O)=O |
| InChI | InChI=1S/C20H14N2O3S2/c23-20-16-10-5-4-9-15(16)17(22-27(24,25)19-11-6-12-26-19)13-18(20)21-14-7-2-1-3-8-14/h1-13,21H |
| InChIK | HBKSVQFOBQYYEZ-UHFFFAOYSA-N |
| TotalMolweight | 394.474 |
| Molweight | 394.474 |
| MonoisotopicMass | 394.044583 |
| CLogP | 3.7937 |
| CLogS | -5.281 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 280.69 |
| Relative PSA | 0.30265 |
| PolarSurfaceArea | 112.22 |
| Druglikeness | 0.12085 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.48148 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 1 |
| Symmetricatoms | 3 |
| BasicNitrogens | 1 |
| StereoCon |
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