difluoroboranyl N'-[(Z)-1-naphthalen-2-ylethylideneamino]carbamimidothioate
Formula:C13H12N3BF2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
difluoroboranyl N'-[(Z)-1-naphthalen-2-ylethylideneamino]carbamimidothioate is a drug-like molecule.
| MolName | difluoroboranyl N'-[(Z)-1-naphthalen-2-ylethylideneamino]carbamimidothioate |
| MolecularFormula | C13H12N3BF2S |
| Smiles | C/C(/c1cc2ccccc2cc1)=N/N=C(/N)\SB(F)F |
| InChI | InChI=1S/C13H12BF2N3S/c1-9(18-19-13(17)20-14(15)16)11-7-6-10-4-2-3-5-12(10)8-11/h2-8H,1H3,(H2,17,19) |
| InChIK | IRLLNVJBPLZFNI-UHFFFAOYSA-N |
| TotalMolweight | 291.132 |
| Molweight | 291.132 |
| MonoisotopicMass | 291.081303 |
| CLogP | 4.0873 |
| CLogS | -5.336 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 219.37 |
| Relative PSA | 0.25427 |
| PolarSurfaceArea | 76.04 |
| Druglikeness | -2.7863 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | unwanted atom; dimethylene-hydrazine |
| Shape Index | 0.65 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 10 |
| Sp3Atoms | 2 |
| Symmetricatoms | 1 |
| StereoCon |
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