[(Z)-(1-chloro-3,4-dihydronaphthalen-2-yl)methylideneamino] thiophene-2-carboxylate
Formula:C16H12NO2ClS
Mutagenic:high
Tumorigenic:none
Reproductive Effective:high
[(Z)-(1-chloro-3,4-dihydronaphthalen-2-yl)methylideneamino] thiophene-2-carboxylate is a drug-like molecule.
| MolName | [(Z)-(1-chloro-3,4-dihydronaphthalen-2-yl)methylideneamino] thiophene-2-carboxylate |
| MolecularFormula | C16H12NO2ClS |
| Smiles | O=C(c1cccs1)O/N=C\C(CCc1c2cccc1)=C2Cl |
| InChI | InChI=1S/C16H12ClNO2S/c17-15-12(8-7-11-4-1-2-5-13(11)15)10-18-20-16(19)14-6-3-9-21-14/h1-6,9-10H,7-8H2 |
| InChIK | LBXNFPPAQLUPJF-UHFFFAOYSA-N |
| TotalMolweight | 317.795 |
| Molweight | 317.795 |
| MonoisotopicMass | 317.027726 |
| CLogP | 4.7527 |
| CLogS | -3.665 |
| H Acceptors | 3 |
| TotalSurfaceArea | 233.83 |
| Relative PSA | 0.23483 |
| PolarSurfaceArea | 66.9 |
| Druglikeness | -1.1415 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | allyl/benzyl chloride |
| Shape Index | 0.61905 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 3 |
| StereoCon |
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