(E)-N-(4-nitrophenyl)-3-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]prop-2-enamide
Formula:C20H13N2O4F3
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
(E)-N-(4-nitrophenyl)-3-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]prop-2-enamide is a drug-like molecule.
| MolName | (E)-N-(4-nitrophenyl)-3-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]prop-2-enamide |
| MolecularFormula | C20H13N2O4F3 |
| Smiles | [O-][N+](c(cc1)ccc1NC(/C=C/c1ccc(-c2cccc(C(F)(F)F)c2)o1)=O)=O |
| InChI | InChI=1S/C20H13F3N2O4/c21-20(22,23)14-3-1-2-13(12-14)18-10-8-17(29-18)9-11-19(26)24-15-4-6-16(7-5-15)25(27)28/h1-12H,(H,24,26) |
| InChIK | CMLJWEJQDUIGJO-UHFFFAOYSA-N |
| TotalMolweight | 402.327 |
| Molweight | 402.327 |
| MonoisotopicMass | 402.082742 |
| CLogP | 4.0019 |
| CLogS | -6.196 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 291.31 |
| Relative PSA | 0.23696 |
| PolarSurfaceArea | 88.06 |
| Druglikeness | -11.194 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.62069 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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