[(E)-[amino(thiophen-2-yl)methylidene]amino] (E)-3-[4-(trifluoromethoxy)phenyl]prop-2-enoate
Formula:C15H11N2O3F3S
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
[(E)-[amino(thiophen-2-yl)methylidene]amino] (E)-3-[4-(trifluoromethoxy)phenyl]prop-2-enoate is a drug-like molecule.
| MolName | [(E)-[amino(thiophen-2-yl)methylidene]amino] (E)-3-[4-(trifluoromethoxy)phenyl]prop-2-enoate |
| MolecularFormula | C15H11N2O3F3S |
| Smiles | N/C(/c1cccs1)=N/OC(/C=C/c(cc1)ccc1OC(F)(F)F)=O |
| InChI | InChI=1S/C15H11F3N2O3S/c16-15(17,18)22-11-6-3-10(4-7-11)5-8-13(21)23-20-14(19)12-2-1-9-24-12/h1-9H,(H2,19,20) |
| InChIK | MGVLTZBCCTWBQQ-UHFFFAOYSA-N |
| TotalMolweight | 356.323 |
| Molweight | 356.323 |
| MonoisotopicMass | 356.044247 |
| CLogP | 4.3669 |
| CLogS | -4.939 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 254.16 |
| Relative PSA | 0.31547 |
| PolarSurfaceArea | 102.15 |
| Druglikeness | -9.4061 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 7 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 3 |
| Symmetricatoms | 4 |
| StereoCon |
Click to Load Molecule:
1 - [(E)-[amino(thiophen-2-yl)methylidene]amino] (E)-3-[4-(trifluoromethoxy)phenyl]prop-2-enoate | 2 - [(E)-[amino(thiophen-2-yl)methylidene]amino] (E)-3-[4-(trifluoromethoxy)phenyl]prop-2-enoate
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off