[(E)-2,3-dihydrothiochromen-4-ylideneamino] (E)-3-phenylprop-2-enoate
Formula:C18H15NO2S
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
[(E)-2,3-dihydrothiochromen-4-ylideneamino] (E)-3-phenylprop-2-enoate is a drug-like molecule.
| MolName | [(E)-2,3-dihydrothiochromen-4-ylideneamino] (E)-3-phenylprop-2-enoate |
| MolecularFormula | C18H15NO2S |
| Smiles | O=C(/C=C/c1ccccc1)O/N=C1/c(cccc2)c2SCC1 |
| InChI | InChI=1S/C18H15NO2S/c20-18(11-10-14-6-2-1-3-7-14)21-19-16-12-13-22-17-9-5-4-8-15(16)17/h1-11H,12-13H2 |
| InChIK | DHFOPLHRTRFZCI-UHFFFAOYSA-N |
| TotalMolweight | 309.388 |
| Molweight | 309.388 |
| MonoisotopicMass | 309.082349 |
| CLogP | 3.9527 |
| CLogS | -5.397 |
| H Acceptors | 3 |
| TotalSurfaceArea | 241.75 |
| Relative PSA | 0.21526 |
| PolarSurfaceArea | 63.96 |
| Druglikeness | -2.7908 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.63636 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| Symmetricatoms | 2 |
| StereoCon |
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