[(E)-[2-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]indol-3-ylidene]amino] 2-chloroacetate
Formula:C18H12N2O3ClF3
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
[(E)-[2-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]indol-3-ylidene]amino] 2-chloroacetate is a drug-like molecule.
| MolName | [(E)-[2-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]indol-3-ylidene]amino] 2-chloroacetate |
| MolecularFormula | C18H12N2O3ClF3 |
| Smiles | O=C(CCl)O/N=C(\c(cccc1)c1N1Cc2cc(C(F)(F)F)ccc2)/C1=O |
| InChI | InChI=1S/C18H12ClF3N2O3/c19-9-15(25)27-23-16-13-6-1-2-7-14(13)24(17(16)26)10-11-4-3-5-12(8-11)18(20,21)22/h1-8H,9-10H2 |
| InChIK | WFQOALNAUNMLBW-UHFFFAOYSA-N |
| TotalMolweight | 396.751 |
| Molweight | 396.751 |
| MonoisotopicMass | 396.048854 |
| CLogP | 3.9535 |
| CLogS | -5.327 |
| H Acceptors | 5 |
| TotalSurfaceArea | 270.69 |
| Relative PSA | 0.18892 |
| PolarSurfaceArea | 58.97 |
| Druglikeness | -6.58 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.51852 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
Click to Load Molecule:
1 - [(E)-[2-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]indol-3-ylidene]amino] 2-chloroacetate | 2 - [(E)-[2-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]indol-3-ylidene]amino] 2-chloroacetate
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off