[(E)-[1-amino-2-(4-chlorophenoxy)ethylidene]amino] 3-chloro-5-(trifluoromethyl)pyridine-2-carboxylate
Formula:C15H10N3O3Cl2F3
Mutagenic:high
Tumorigenic:high
Reproductive Effective:low
[(E)-[1-amino-2-(4-chlorophenoxy)ethylidene]amino] 3-chloro-5-(trifluoromethyl)pyridine-2-carboxylate is a drug-like molecule.
| MolName | [(E)-[1-amino-2-(4-chlorophenoxy)ethylidene]amino] 3-chloro-5-(trifluoromethyl)pyridine-2-carboxylate |
| MolecularFormula | C15H10N3O3Cl2F3 |
| Smiles | N/C(/COc(cc1)ccc1Cl)=N/OC(c(ncc(C(F)(F)F)c1)c1Cl)=O |
| InChI | InChI=1S/C15H10Cl2F3N3O3/c16-9-1-3-10(4-2-9)25-7-12(21)23-26-14(24)13-11(17)5-8(6-22-13)15(18,19)20/h1-6H,7H2,(H2,21,23) |
| InChIK | HPRRWGYOWNPTLM-UHFFFAOYSA-N |
| TotalMolweight | 408.162 |
| Molweight | 408.162 |
| MonoisotopicMass | 407.00513 |
| CLogP | 3.7604 |
| CLogS | -4.795 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 275.08 |
| Relative PSA | 0.25734 |
| PolarSurfaceArea | 86.8 |
| Druglikeness | -9.9858 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | low |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.65385 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 7 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - [(E)-[1-amino-2-(4-chlorophenoxy)ethylidene]amino] 3-chloro-5-(trifluoromethyl)pyridine-2-carboxylate | 2 - [(E)-[1-amino-2-(4-chlorophenoxy)ethylidene]amino] 3-chloro-5-(trifluoromethyl)pyridine-2-carboxylate
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off