[(E)-(3-oxo-1-benzothiophen-2-ylidene)amino] benzoate
Formula:C15H9NO3S
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
[(E)-(3-oxo-1-benzothiophen-2-ylidene)amino] benzoate is a drug-like molecule.
| MolName | [(E)-(3-oxo-1-benzothiophen-2-ylidene)amino] benzoate |
| MolecularFormula | C15H9NO3S |
| Smiles | O=C(c1ccccc1)O/N=C1/Sc(cccc2)c2C1=O |
| InChI | InChI=1S/C15H9NO3S/c17-13-11-8-4-5-9-12(11)20-14(13)16-19-15(18)10-6-2-1-3-7-10/h1-9H |
| InChIK | NUCHCOUKHKACRH-UHFFFAOYSA-N |
| TotalMolweight | 283.306 |
| Molweight | 283.306 |
| MonoisotopicMass | 283.030314 |
| CLogP | 2.6226 |
| CLogS | -3.907 |
| H Acceptors | 4 |
| TotalSurfaceArea | 205.48 |
| Relative PSA | 0.31672 |
| PolarSurfaceArea | 81.03 |
| Druglikeness | -0.63493 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| StereoCon |
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