[(E)-3,4-dihydro-2H-naphthalen-1-ylideneamino] thiophene-2-carboxylate
Formula:C15H13NO2S
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
[(E)-3,4-dihydro-2H-naphthalen-1-ylideneamino] thiophene-2-carboxylate is a drug-like molecule.
| MolName | [(E)-3,4-dihydro-2H-naphthalen-1-ylideneamino] thiophene-2-carboxylate |
| MolecularFormula | C15H13NO2S |
| Smiles | O=C(c1cccs1)O/N=C(\CCC1)/c2c1cccc2 |
| InChI | InChI=1S/C15H13NO2S/c17-15(14-9-4-10-19-14)18-16-13-8-3-6-11-5-1-2-7-12(11)13/h1-2,4-5,7,9-10H,3,6,8H2 |
| InChIK | OZJFSGBZCSPKRN-UHFFFAOYSA-N |
| TotalMolweight | 271.339 |
| Molweight | 271.339 |
| MonoisotopicMass | 271.066699 |
| CLogP | 4.4574 |
| CLogS | -4.73 |
| H Acceptors | 3 |
| TotalSurfaceArea | 207.46 |
| Relative PSA | 0.26468 |
| PolarSurfaceArea | 66.9 |
| Druglikeness | -2.7718 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.57895 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 4 |
| StereoCon |
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