[(Z)-(2-chlorophenyl)methylideneamino] 2-chloropyridine-3-carboxylate
Formula:C13H8N2O2Cl2
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
[(Z)-(2-chlorophenyl)methylideneamino] 2-chloropyridine-3-carboxylate is a drug-like molecule.
| MolName | [(Z)-(2-chlorophenyl)methylideneamino] 2-chloropyridine-3-carboxylate |
| MolecularFormula | C13H8N2O2Cl2 |
| Smiles | O=C(c1cccnc1Cl)O/N=C\c(cccc1)c1Cl |
| InChI | InChI=1S/C13H8Cl2N2O2/c14-11-6-2-1-4-9(11)8-17-19-13(18)10-5-3-7-16-12(10)15/h1-8H |
| InChIK | SEHSCFZLRPRUMR-UHFFFAOYSA-N |
| TotalMolweight | 295.125 |
| Molweight | 295.125 |
| MonoisotopicMass | 293.996282 |
| CLogP | 4.2266 |
| CLogS | -4.211 |
| H Acceptors | 4 |
| TotalSurfaceArea | 215.13 |
| Relative PSA | 0.21159 |
| PolarSurfaceArea | 51.55 |
| Druglikeness | -3.2875 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.63158 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - [(Z)-(2-chlorophenyl)methylideneamino] 2-chloropyridine-3-carboxylate | 2 - [(Z)-(2-chlorophenyl)methylideneamino] 2-chloropyridine-3-carboxylate
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off