[(Z)-(3,5-dichlorophenyl)methylideneamino] 2-chloropyridine-3-carboxylate
Formula:C13H7N2O2Cl3
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
[(Z)-(3,5-dichlorophenyl)methylideneamino] 2-chloropyridine-3-carboxylate is a drug-like molecule.
| MolName | [(Z)-(3,5-dichlorophenyl)methylideneamino] 2-chloropyridine-3-carboxylate |
| MolecularFormula | C13H7N2O2Cl3 |
| Smiles | O=C(c1cccnc1Cl)O/N=C\c1cc(Cl)cc(Cl)c1 |
| InChI | InChI=1S/C13H7Cl3N2O2/c14-9-4-8(5-10(15)6-9)7-18-20-13(19)11-2-1-3-17-12(11)16/h1-7H |
| InChIK | TYVKGLZHTWZGEE-UHFFFAOYSA-N |
| TotalMolweight | 329.57 |
| Molweight | 329.57 |
| MonoisotopicMass | 327.957309 |
| CLogP | 4.8326 |
| CLogS | -4.947 |
| H Acceptors | 4 |
| TotalSurfaceArea | 230.55 |
| Relative PSA | 0.19744 |
| PolarSurfaceArea | 51.55 |
| Druglikeness | -3.2875 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 3 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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