[(E)-6H-benzo[c][1]benzothiepin-11-ylideneamino] thiophene-2-carboxylate
Formula:C19H13NO2S2
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
[(E)-6H-benzo[c][1]benzothiepin-11-ylideneamino] thiophene-2-carboxylate is not a drug-like molecule.
| MolName | [(E)-6H-benzo[c][1]benzothiepin-11-ylideneamino] thiophene-2-carboxylate |
| MolecularFormula | C19H13NO2S2 |
| Smiles | O=C(c1cccs1)O/N=C1/c(cccc2)c2SCc2c1cccc2 |
| InChI | InChI=1S/C19H13NO2S2/c21-19(17-10-5-11-23-17)22-20-18-14-7-2-1-6-13(14)12-24-16-9-4-3-8-15(16)18/h1-11H,12H2 |
| InChIK | KTGIZKZCPYWSIM-UHFFFAOYSA-N |
| TotalMolweight | 351.449 |
| Molweight | 351.449 |
| MonoisotopicMass | 351.038769 |
| CLogP | 5.2554 |
| CLogS | -6.9 |
| H Acceptors | 3 |
| TotalSurfaceArea | 257.19 |
| Relative PSA | 0.2815 |
| PolarSurfaceArea | 92.2 |
| Druglikeness | 0.097762 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.45833 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 3 |
| StereoCon |
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