[(E)-2,3-dihydrothiochromen-4-ylideneamino] benzoate
Formula:C16H13NO2S
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
[(E)-2,3-dihydrothiochromen-4-ylideneamino] benzoate is a drug-like molecule.
| MolName | [(E)-2,3-dihydrothiochromen-4-ylideneamino] benzoate |
| MolecularFormula | C16H13NO2S |
| Smiles | O=C(c1ccccc1)O/N=C1/c(cccc2)c2SCC1 |
| InChI | InChI=1S/C16H13NO2S/c18-16(12-6-2-1-3-7-12)19-17-14-10-11-20-15-9-5-4-8-13(14)15/h1-9H,10-11H2 |
| InChIK | SEOABUFODNEWOK-UHFFFAOYSA-N |
| TotalMolweight | 283.35 |
| Molweight | 283.35 |
| MonoisotopicMass | 283.066699 |
| CLogP | 3.6235 |
| CLogS | -5.027 |
| H Acceptors | 3 |
| TotalSurfaceArea | 215.25 |
| Relative PSA | 0.24177 |
| PolarSurfaceArea | 63.96 |
| Druglikeness | -2.0035 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| Symmetricatoms | 2 |
| StereoCon |
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