[(E)-[1-amino-2-[(4-fluorophenyl)methylsulfonyl]ethylidene]amino] thiophene-2-carboxylate
Formula:C14H13N2O4FS2
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
[(E)-[1-amino-2-[(4-fluorophenyl)methylsulfonyl]ethylidene]amino] thiophene-2-carboxylate is a drug-like molecule.
| MolName | [(E)-[1-amino-2-[(4-fluorophenyl)methylsulfonyl]ethylidene]amino] thiophene-2-carboxylate |
| MolecularFormula | C14H13N2O4FS2 |
| Smiles | N/C(/CS(Cc(cc1)ccc1F)(=O)=O)=N/OC(c1cccs1)=O |
| InChI | InChI=1S/C14H13FN2O4S2/c15-11-5-3-10(4-6-11)8-23(19,20)9-13(16)17-21-14(18)12-2-1-7-22-12/h1-7H,8-9H2,(H2,16,17) |
| InChIK | RUMSLDGPFZBODA-UHFFFAOYSA-N |
| TotalMolweight | 356.397 |
| Molweight | 356.397 |
| MonoisotopicMass | 356.030076 |
| CLogP | 1.7564 |
| CLogS | -4.089 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 250.65 |
| Relative PSA | 0.39402 |
| PolarSurfaceArea | 135.44 |
| Druglikeness | -3.6512 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.65217 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 7 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 4 |
| Symmetricatoms | 3 |
| StereoCon |
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