[(E)-(3-oxo-1H-inden-2-ylidene)amino] thiophene-2-carboxylate
Formula:C14H9NO3S
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
[(E)-(3-oxo-1H-inden-2-ylidene)amino] thiophene-2-carboxylate is a drug-like molecule.
| MolName | [(E)-(3-oxo-1H-inden-2-ylidene)amino] thiophene-2-carboxylate |
| MolecularFormula | C14H9NO3S |
| Smiles | O=C(c1cccs1)O/N=C(\Cc1c2cccc1)/C2=O |
| InChI | InChI=1S/C14H9NO3S/c16-13-10-5-2-1-4-9(10)8-11(13)15-18-14(17)12-6-3-7-19-12/h1-7H,8H2 |
| InChIK | INNCDPAIFWAPCL-UHFFFAOYSA-N |
| TotalMolweight | 271.295 |
| Molweight | 271.295 |
| MonoisotopicMass | 271.030314 |
| CLogP | 3.407 |
| CLogS | -4.112 |
| H Acceptors | 4 |
| TotalSurfaceArea | 197.69 |
| Relative PSA | 0.34372 |
| PolarSurfaceArea | 83.97 |
| Druglikeness | 1.1254 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.57895 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 2 |
| StereoCon |
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1 - [(E)-(3-oxo-1H-inden-2-ylidene)amino] thiophene-2-carboxylate | 2 - [(E)-(3-oxo-1H-inden-2-ylidene)amino] thiophene-2-carboxylate
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