[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl] (E)-3-(furan-2-yl)prop-2-enoate
Formula:C16H11NO4ClF3
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl] (E)-3-(furan-2-yl)prop-2-enoate is a drug-like molecule.
| MolName | [2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl] (E)-3-(furan-2-yl)prop-2-enoate |
| MolecularFormula | C16H11NO4ClF3 |
| Smiles | O=C(COC(/C=C/c1ccco1)=O)Nc(cc1)cc(C(F)(F)F)c1Cl |
| InChI | InChI=1S/C16H11ClF3NO4/c17-13-5-3-10(8-12(13)16(18,19)20)21-14(22)9-25-15(23)6-4-11-2-1-7-24-11/h1-8H,9H2,(H,21,22) |
| InChIK | DOBXGTQWXXCFLB-UHFFFAOYSA-N |
| TotalMolweight | 373.713 |
| Molweight | 373.713 |
| MonoisotopicMass | 373.03287 |
| CLogP | 3.3372 |
| CLogS | -4.597 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 264.81 |
| Relative PSA | 0.23281 |
| PolarSurfaceArea | 68.54 |
| Druglikeness | -6.93 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 7 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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