2,4,5-trichloro-6-[(2Z)-2-[(2,4-dichlorophenyl)methylidene]hydrazinyl]pyridine-3-carbonitrile
Formula:C13H5N4Cl5
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
2,4,5-trichloro-6-[(2Z)-2-[(2,4-dichlorophenyl)methylidene]hydrazinyl]pyridine-3-carbonitrile is not a drug-like molecule.
| MolName | 2,4,5-trichloro-6-[(2Z)-2-[(2,4-dichlorophenyl)methylidene]hydrazinyl]pyridine-3-carbonitrile |
| MolecularFormula | C13H5N4Cl5 |
| Smiles | N#Cc(c(Cl)nc(N/N=C\c(ccc(Cl)c1)c1Cl)c1Cl)c1Cl |
| InChI | InChI=1S/C13H5Cl5N4/c14-7-2-1-6(9(15)3-7)5-20-22-13-11(17)10(16)8(4-19)12(18)21-13/h1-3,5H,(H,21,22) |
| InChIK | ZGPYOLWZXZWDDE-UHFFFAOYSA-N |
| TotalMolweight | 394.476 |
| Molweight | 394.476 |
| MonoisotopicMass | 391.895681 |
| CLogP | 7.1544 |
| CLogS | -7.095 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 266.81 |
| Relative PSA | 0.17803 |
| PolarSurfaceArea | 61.07 |
| Druglikeness | -1.8955 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde; polyhalo aromatic ring |
| Shape Index | 0.63636 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - 2,4,5-trichloro-6-[(2Z)-2-[(2,4-dichlorophenyl)methylidene]hydrazinyl]pyridine-3-carbonitrile | 2 - 2,4,5-trichloro-6-[(2Z)-2-[(2,4-dichlorophenyl)methylidene]hydrazinyl]pyridine-3-carbonitrile
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off