[(E)-[1-amino-2-(3-chlorophenoxy)ethylidene]amino] 3-[2-oxo-5-(trifluoromethyl)pyridin-1-yl]propanoate
Formula:C17H15N3O4ClF3
Mutagenic:high
Tumorigenic:none
Reproductive Effective:low
[(E)-[1-amino-2-(3-chlorophenoxy)ethylidene]amino] 3-[2-oxo-5-(trifluoromethyl)pyridin-1-yl]propanoate is a drug-like molecule.
| MolName | [(E)-[1-amino-2-(3-chlorophenoxy)ethylidene]amino] 3-[2-oxo-5-(trifluoromethyl)pyridin-1-yl]propanoate |
| MolecularFormula | C17H15N3O4ClF3 |
| Smiles | N/C(/COc1cccc(Cl)c1)=N/OC(CCN(C=C(C(F)(F)F)C=C1)C1=O)=O |
| InChI | InChI=1S/C17H15ClF3N3O4/c18-12-2-1-3-13(8-12)27-10-14(22)23-28-16(26)6-7-24-9-11(17(19,20)21)4-5-15(24)25/h1-5,8-9H,6-7,10H2,(H2,22,23) |
| InChIK | CSPBUVWPLMIQNC-UHFFFAOYSA-N |
| TotalMolweight | 417.77 |
| Molweight | 417.77 |
| MonoisotopicMass | 417.070318 |
| CLogP | 2.5055 |
| CLogS | -4.073 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 294.42 |
| Relative PSA | 0.25953 |
| PolarSurfaceArea | 94.22 |
| Druglikeness | -8.3428 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.60714 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 9 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 6 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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1 - [(E)-[1-amino-2-(3-chlorophenoxy)ethylidene]amino] 3-[2-oxo-5-(trifluoromethyl)pyridin-1-yl]propanoate | 2 - [(E)-[1-amino-2-(3-chlorophenoxy)ethylidene]amino] 3-[2-oxo-5-(trifluoromethyl)pyridin-1-yl]propanoate
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