[(Z)-(3-phenoxyphenyl)methylideneamino] 2-chloropyridine-3-carboxylate
Formula:C19H13N2O3Cl
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
[(Z)-(3-phenoxyphenyl)methylideneamino] 2-chloropyridine-3-carboxylate is not a drug-like molecule.
| MolName | [(Z)-(3-phenoxyphenyl)methylideneamino] 2-chloropyridine-3-carboxylate |
| MolecularFormula | C19H13N2O3Cl |
| Smiles | O=C(c1cccnc1Cl)O/N=C\c1cc(Oc2ccccc2)ccc1 |
| InChI | InChI=1S/C19H13ClN2O3/c20-18-17(10-5-11-21-18)19(23)25-22-13-14-6-4-9-16(12-14)24-15-7-2-1-3-8-15/h1-13H |
| InChIK | QPRXAIJSFUSEAK-UHFFFAOYSA-N |
| TotalMolweight | 352.776 |
| Molweight | 352.776 |
| MonoisotopicMass | 352.06147 |
| CLogP | 5.0162 |
| CLogS | -5.772 |
| H Acceptors | 5 |
| TotalSurfaceArea | 269.47 |
| Relative PSA | 0.20603 |
| PolarSurfaceArea | 60.78 |
| Druglikeness | -3.2717 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.64 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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