[(E)-2,3-dihydrothiochromen-4-ylideneamino] 4-fluorobenzoate
Formula:C16H12NO2FS
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
[(E)-2,3-dihydrothiochromen-4-ylideneamino] 4-fluorobenzoate is a drug-like molecule.
| MolName | [(E)-2,3-dihydrothiochromen-4-ylideneamino] 4-fluorobenzoate |
| MolecularFormula | C16H12NO2FS |
| Smiles | O=C(c(cc1)ccc1F)O/N=C1/c(cccc2)c2SCC1 |
| InChI | InChI=1S/C16H12FNO2S/c17-12-7-5-11(6-8-12)16(19)20-18-14-9-10-21-15-4-2-1-3-13(14)15/h1-8H,9-10H2 |
| InChIK | OXQRVHUJZIEIEH-UHFFFAOYSA-N |
| TotalMolweight | 301.34 |
| Molweight | 301.34 |
| MonoisotopicMass | 301.057277 |
| CLogP | 3.7243 |
| CLogS | -5.341 |
| H Acceptors | 3 |
| TotalSurfaceArea | 221.6 |
| Relative PSA | 0.23484 |
| PolarSurfaceArea | 63.96 |
| Druglikeness | -3.3435 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.61905 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| Symmetricatoms | 2 |
| StereoCon |
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1 - [(E)-2,3-dihydrothiochromen-4-ylideneamino] 4-fluorobenzoate | 2 - [(E)-2,3-dihydrothiochromen-4-ylideneamino] 4-fluorobenzoate
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