[(Z)-(4-phenylmethoxyphenyl)methylideneamino] thiophene-2-carboxylate
Formula:C19H15NO3S
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
[(Z)-(4-phenylmethoxyphenyl)methylideneamino] thiophene-2-carboxylate is not a drug-like molecule.
| MolName | [(Z)-(4-phenylmethoxyphenyl)methylideneamino] thiophene-2-carboxylate |
| MolecularFormula | C19H15NO3S |
| Smiles | O=C(c1cccs1)O/N=C\c(cc1)ccc1OCc1ccccc1 |
| InChI | InChI=1S/C19H15NO3S/c21-19(18-7-4-12-24-18)23-20-13-15-8-10-17(11-9-15)22-14-16-5-2-1-3-6-16/h1-13H,14H2 |
| InChIK | PFQVSGPWNPRBFL-UHFFFAOYSA-N |
| TotalMolweight | 337.398 |
| Molweight | 337.398 |
| MonoisotopicMass | 337.077264 |
| CLogP | 5.1328 |
| CLogS | -5.122 |
| H Acceptors | 4 |
| TotalSurfaceArea | 264.99 |
| Relative PSA | 0.24495 |
| PolarSurfaceArea | 76.13 |
| Druglikeness | -0.73076 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.70833 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 3 |
| Symmetricatoms | 4 |
| StereoCon |
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