N-[(Z)-(2-oxoacenaphthylen-1-ylidene)amino]benzenesulfonamide
Formula:C18H12N2O3S
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-(2-oxoacenaphthylen-1-ylidene)amino]benzenesulfonamide is a drug-like molecule.
| MolName | N-[(Z)-(2-oxoacenaphthylen-1-ylidene)amino]benzenesulfonamide |
| MolecularFormula | C18H12N2O3S |
| Smiles | O=C(c1c(c2ccc3)c3ccc1)/C2=N\NS(c1ccccc1)(=O)=O |
| InChI | InChI=1S/C18H12N2O3S/c21-18-15-11-5-7-12-6-4-10-14(16(12)15)17(18)19-20-24(22,23)13-8-2-1-3-9-13/h1-11,20H |
| InChIK | NBJWIKQLEZILHD-UHFFFAOYSA-N |
| TotalMolweight | 336.37 |
| Molweight | 336.37 |
| MonoisotopicMass | 336.056863 |
| CLogP | 2.9094 |
| CLogS | -4.112 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 234.88 |
| Relative PSA | 0.27499 |
| PolarSurfaceArea | 83.98 |
| Druglikeness | -6.7301 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 2 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 1 |
| Symmetricatoms | 3 |
| StereoCon |
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