[(E)-[amino-[3,5-bis(trifluoromethyl)phenyl]methylidene]amino] 2-chloroacetate
Formula:C11H7N2O2ClF6
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
[(E)-[amino-[3,5-bis(trifluoromethyl)phenyl]methylidene]amino] 2-chloroacetate is a drug-like molecule.
| MolName | [(E)-[amino-[3,5-bis(trifluoromethyl)phenyl]methylidene]amino] 2-chloroacetate |
| MolecularFormula | C11H7N2O2ClF6 |
| Smiles | N/C(/c1cc(C(F)(F)F)cc(C(F)(F)F)c1)=N/OC(CCl)=O |
| InChI | InChI=1S/C11H7ClF6N2O2/c12-4-8(21)22-20-9(19)5-1-6(10(13,14)15)3-7(2-5)11(16,17)18/h1-3H,4H2,(H2,19,20) |
| InChIK | MUZPHEHZZSTTOO-UHFFFAOYSA-N |
| TotalMolweight | 348.63 |
| Molweight | 348.63 |
| MonoisotopicMass | 348.010023 |
| CLogP | 3.5542 |
| CLogS | -4.323 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 220.6 |
| Relative PSA | 0.22584 |
| PolarSurfaceArea | 64.68 |
| Druglikeness | -11.214 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 6 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 4 |
| Symmetricatoms | 8 |
| StereoCon |
Click to Load Molecule:
1 - [(E)-[amino-[3,5-bis(trifluoromethyl)phenyl]methylidene]amino] 2-chloroacetate | 2 - [(E)-[amino-[3,5-bis(trifluoromethyl)phenyl]methylidene]amino] 2-chloroacetate
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off