N-(3,4-dichlorophenyl)-N'-[(Z)-(2,6-dichlorophenyl)methylideneamino]pentanediamide
Formula:C18H15N3O2Cl4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
N-(3,4-dichlorophenyl)-N'-[(Z)-(2,6-dichlorophenyl)methylideneamino]pentanediamide is not a drug-like molecule.
| MolName | N-(3,4-dichlorophenyl)-N'-[(Z)-(2,6-dichlorophenyl)methylideneamino]pentanediamide |
| MolecularFormula | C18H15N3O2Cl4 |
| Smiles | O=C(CCCC(N/N=C\c(c(Cl)ccc1)c1Cl)=O)Nc(cc1)cc(Cl)c1Cl |
| InChI | InChI=1S/C18H15Cl4N3O2/c19-13-3-1-4-14(20)12(13)10-23-25-18(27)6-2-5-17(26)24-11-7-8-15(21)16(22)9-11/h1,3-4,7-10H,2,5-6H2,(H,24,26)(H,25,27) |
| InChIK | MRKWICGNKPDTKR-UHFFFAOYSA-N |
| TotalMolweight | 447.148 |
| Molweight | 447.148 |
| MonoisotopicMass | 444.991835 |
| CLogP | 5.9311 |
| CLogS | -7.279 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 319.16 |
| Relative PSA | 0.18959 |
| PolarSurfaceArea | 70.56 |
| Druglikeness | -0.66786 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 7 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 3 |
| Amides | 1 |
| StereoCon |
Click to Load Molecule:
1 - N-(3,4-dichlorophenyl)-N'-[(Z)-(2,6-dichlorophenyl)methylideneamino]pentanediamide | 2 - N-(3,4-dichlorophenyl)-N'-[(Z)-(2,6-dichlorophenyl)methylideneamino]pentanediamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off