N-naphthalen-1-yl-N'-thiophen-2-ylsulfonylbenzenecarboximidamide
Formula:C21H16N2O2S2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N-naphthalen-1-yl-N'-thiophen-2-ylsulfonylbenzenecarboximidamide is not a drug-like molecule.
| MolName | N-naphthalen-1-yl-N'-thiophen-2-ylsulfonylbenzenecarboximidamide |
| MolecularFormula | C21H16N2O2S2 |
| Smiles | O=S(c1cccs1)(/N=C(\c1ccccc1)/Nc1cccc2ccccc12)=O |
| InChI | InChI=1S/C21H16N2O2S2/c24-27(25,20-14-7-15-26-20)23-21(17-9-2-1-3-10-17)22-19-13-6-11-16-8-4-5-12-18(16)19/h1-15H,(H,22,23) |
| InChIK | JCCIRKQRLRFNBE-UHFFFAOYSA-N |
| TotalMolweight | 392.502 |
| Molweight | 392.502 |
| MonoisotopicMass | 392.065318 |
| CLogP | 5.1932 |
| CLogS | -5.743 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 286.33 |
| Relative PSA | 0.25114 |
| PolarSurfaceArea | 95.15 |
| Druglikeness | 1.8712 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.44444 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 1 |
| Symmetricatoms | 3 |
| BasicNitrogens | 1 |
| StereoCon |
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