N-[(E)-(6-fluoro-1,1-dioxo-2,3-dihydrothiochromen-4-ylidene)amino]-3-hydroxynaphthalene-2-carboxamide
Formula:C20H15N2O4FS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(E)-(6-fluoro-1,1-dioxo-2,3-dihydrothiochromen-4-ylidene)amino]-3-hydroxynaphthalene-2-carboxamide is a drug-like molecule.
| MolName | N-[(E)-(6-fluoro-1,1-dioxo-2,3-dihydrothiochromen-4-ylidene)amino]-3-hydroxynaphthalene-2-carboxamide |
| MolecularFormula | C20H15N2O4FS |
| Smiles | Oc1cc2ccccc2cc1C(N/N=C(\CC1)/c(cc(cc2)F)c2S1(=O)=O)=O |
| InChI | InChI=1S/C20H15FN2O4S/c21-14-5-6-19-15(11-14)17(7-8-28(19,26)27)22-23-20(25)16-9-12-3-1-2-4-13(12)10-18(16)24/h1-6,9-11,24H,7-8H2,(H,23,25) |
| InChIK | VSKZQCXMALOLCR-UHFFFAOYSA-N |
| TotalMolweight | 398.413 |
| Molweight | 398.413 |
| MonoisotopicMass | 398.073656 |
| CLogP | 3.0227 |
| CLogS | -6.17 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 275.1 |
| Relative PSA | 0.28241 |
| PolarSurfaceArea | 104.21 |
| Druglikeness | -10.204 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 2 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 4 |
| Symmetricatoms | 1 |
| StereoCon |
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1 - N-[(E)-(6-fluoro-1,1-dioxo-2,3-dihydrothiochromen-4-ylidene)amino]-3-hydroxynaphthalene-2-carboxamide | 2 - N-[(E)-(6-fluoro-1,1-dioxo-2,3-dihydrothiochromen-4-ylidene)amino]-3-hydroxynaphthalene-2-carboxamide
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