N-[(E)-(6-fluoro-1,1-dioxo-2,3-dihydrothiochromen-4-ylidene)amino]-5-(trifluoromethyl)pyridin-2-amine
Formula:C15H11N3O2F4S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(E)-(6-fluoro-1,1-dioxo-2,3-dihydrothiochromen-4-ylidene)amino]-5-(trifluoromethyl)pyridin-2-amine is a drug-like molecule.
| MolName | N-[(E)-(6-fluoro-1,1-dioxo-2,3-dihydrothiochromen-4-ylidene)amino]-5-(trifluoromethyl)pyridin-2-amine |
| MolecularFormula | C15H11N3O2F4S |
| Smiles | O=S(CC1)(c(ccc(F)c2)c2/C1=N/Nc1ncc(C(F)(F)F)cc1)=O |
| InChI | InChI=1S/C15H11F4N3O2S/c16-10-2-3-13-11(7-10)12(5-6-25(13,23)24)21-22-14-4-1-9(8-20-14)15(17,18)19/h1-4,7-8H,5-6H2,(H,20,22) |
| InChIK | IJVDLAULOMIYNM-UHFFFAOYSA-N |
| TotalMolweight | 373.329 |
| Molweight | 373.329 |
| MonoisotopicMass | 373.050809 |
| CLogP | 4.0121 |
| CLogS | -4.796 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 244.62 |
| Relative PSA | 0.25558 |
| PolarSurfaceArea | 79.8 |
| Druglikeness | -9.2045 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.52 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| Symmetricatoms | 3 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - N-[(E)-(6-fluoro-1,1-dioxo-2,3-dihydrothiochromen-4-ylidene)amino]-5-(trifluoromethyl)pyridin-2-amine | 2 - N-[(E)-(6-fluoro-1,1-dioxo-2,3-dihydrothiochromen-4-ylidene)amino]-5-(trifluoromethyl)pyridin-2-amine
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