[(E)-[amino-(4-chlorophenyl)methylidene]amino] 2,5-dichloropyridine-3-carboxylate
Formula:C13H8N3O2Cl3
Mutagenic:high
Tumorigenic:none
Reproductive Effective:low
[(E)-[amino-(4-chlorophenyl)methylidene]amino] 2,5-dichloropyridine-3-carboxylate is a drug-like molecule.
| MolName | [(E)-[amino-(4-chlorophenyl)methylidene]amino] 2,5-dichloropyridine-3-carboxylate |
| MolecularFormula | C13H8N3O2Cl3 |
| Smiles | N/C(/c(cc1)ccc1Cl)=N/OC(c1cc(Cl)cnc1Cl)=O |
| InChI | InChI=1S/C13H8Cl3N3O2/c14-8-3-1-7(2-4-8)12(17)19-21-13(20)10-5-9(15)6-18-11(10)16/h1-6H,(H2,17,19) |
| InChIK | FUUAKVVJBFMRCW-UHFFFAOYSA-N |
| TotalMolweight | 344.585 |
| Molweight | 344.585 |
| MonoisotopicMass | 342.968208 |
| CLogP | 3.9866 |
| CLogS | -4.712 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 237.28 |
| Relative PSA | 0.2562 |
| PolarSurfaceArea | 77.57 |
| Druglikeness | -2.6601 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.61905 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - [(E)-[amino-(4-chlorophenyl)methylidene]amino] 2,5-dichloropyridine-3-carboxylate | 2 - [(E)-[amino-(4-chlorophenyl)methylidene]amino] 2,5-dichloropyridine-3-carboxylate
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off