[(E)-[amino(thiophen-2-yl)methylidene]amino] 5-(4-chlorophenyl)-2-(trifluoromethyl)furan-3-carboxylate
Formula:C17H10N2O3ClF3S
Mutagenic:high
Tumorigenic:none
Reproductive Effective:high
[(E)-[amino(thiophen-2-yl)methylidene]amino] 5-(4-chlorophenyl)-2-(trifluoromethyl)furan-3-carboxylate is not a drug-like molecule.
| MolName | [(E)-[amino(thiophen-2-yl)methylidene]amino] 5-(4-chlorophenyl)-2-(trifluoromethyl)furan-3-carboxylate |
| MolecularFormula | C17H10N2O3ClF3S |
| Smiles | N/C(/c1cccs1)=N/OC(c1c(C(F)(F)F)oc(-c(cc2)ccc2Cl)c1)=O |
| InChI | InChI=1S/C17H10ClF3N2O3S/c18-10-5-3-9(4-6-10)12-8-11(14(25-12)17(19,20)21)16(24)26-23-15(22)13-2-1-7-27-13/h1-8H,(H2,22,23) |
| InChIK | MXFGKFQQJMMQHR-UHFFFAOYSA-N |
| TotalMolweight | 414.79 |
| Molweight | 414.79 |
| MonoisotopicMass | 414.005274 |
| CLogP | 5.3319 |
| CLogS | -6.52 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 282.53 |
| Relative PSA | 0.29834 |
| PolarSurfaceArea | 106.06 |
| Druglikeness | -9.0084 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.55556 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| StereoCon |
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