[(Z)-(2,6-dichlorophenyl)methylideneamino] N-(2,6-dichloropyridin-4-yl)carbamate
Formula:C13H7N3O2Cl4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
[(Z)-(2,6-dichlorophenyl)methylideneamino] N-(2,6-dichloropyridin-4-yl)carbamate is not a drug-like molecule.
| MolName | [(Z)-(2,6-dichlorophenyl)methylideneamino] N-(2,6-dichloropyridin-4-yl)carbamate |
| MolecularFormula | C13H7N3O2Cl4 |
| Smiles | O=C(Nc1cc(Cl)nc(Cl)c1)O/N=C\c(c(Cl)ccc1)c1Cl |
| InChI | InChI=1S/C13H7Cl4N3O2/c14-9-2-1-3-10(15)8(9)6-18-22-13(21)19-7-4-11(16)20-12(17)5-7/h1-6H,(H,19,20,21) |
| InChIK | YDANLJXFSXYQLG-UHFFFAOYSA-N |
| TotalMolweight | 379.03 |
| Molweight | 379.03 |
| MonoisotopicMass | 376.929235 |
| CLogP | 5.5299 |
| CLogS | -5.962 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 257.43 |
| Relative PSA | 0.22134 |
| PolarSurfaceArea | 63.58 |
| Druglikeness | -6.178 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.59091 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 6 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - [(Z)-(2,6-dichlorophenyl)methylideneamino] N-(2,6-dichloropyridin-4-yl)carbamate | 2 - [(Z)-(2,6-dichlorophenyl)methylideneamino] N-(2,6-dichloropyridin-4-yl)carbamate
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off