[(E)-[amino-[3-(trifluoromethyl)phenyl]methylidene]amino] 2,5-dichloropyridine-3-carboxylate
Formula:C14H8N3O2Cl2F3
Mutagenic:high
Tumorigenic:none
Reproductive Effective:low
[(E)-[amino-[3-(trifluoromethyl)phenyl]methylidene]amino] 2,5-dichloropyridine-3-carboxylate is a drug-like molecule.
| MolName | [(E)-[amino-[3-(trifluoromethyl)phenyl]methylidene]amino] 2,5-dichloropyridine-3-carboxylate |
| MolecularFormula | C14H8N3O2Cl2F3 |
| Smiles | N/C(/c1cc(C(F)(F)F)ccc1)=N/OC(c1cc(Cl)cnc1Cl)=O |
| InChI | InChI=1S/C14H8Cl2F3N3O2/c15-9-5-10(11(16)21-6-9)13(23)24-22-12(20)7-2-1-3-8(4-7)14(17,18)19/h1-6H,(H2,20,22) |
| InChIK | DURAXJMRNRXJOK-UHFFFAOYSA-N |
| TotalMolweight | 378.137 |
| Molweight | 378.137 |
| MonoisotopicMass | 376.994565 |
| CLogP | 4.2289 |
| CLogS | -4.754 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 251.32 |
| Relative PSA | 0.24188 |
| PolarSurfaceArea | 77.57 |
| Druglikeness | -9.8501 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.54167 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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