(3E)-2,5-bis(4-chlorophenyl)-3-hydrazinylidene-4-oxohexanedinitrile
Formula:C18H12N4OCl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
(3E)-2,5-bis(4-chlorophenyl)-3-hydrazinylidene-4-oxohexanedinitrile is a drug-like molecule.
| MolName | (3E)-2,5-bis(4-chlorophenyl)-3-hydrazinylidene-4-oxohexanedinitrile |
| MolecularFormula | C18H12N4OCl2 |
| Smiles | N/N=C(\C(c(cc1)ccc1Cl)C#N)/C(C(c(cc1)ccc1Cl)C#N)=O |
| InChI | InChI=1S/C18H12Cl2N4O/c19-13-5-1-11(2-6-13)15(9-21)17(24-23)18(25)16(10-22)12-3-7-14(20)8-4-12/h1-8,15-16H,23H2 |
| InChIK | WZZDCVFKWCYXCM-UHFFFAOYSA-N |
| TotalMolweight | 371.226 |
| Molweight | 371.226 |
| MonoisotopicMass | 370.038815 |
| CLogP | 3.1959 |
| CLogS | -6.055 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 281.52 |
| Relative PSA | 0.23778 |
| PolarSurfaceArea | 103.03 |
| Druglikeness | -5.2888 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.56 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| StereoCenters | 2 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| StereoCon | unknown chirality |
Click to Load Molecule:
1 - (3E)-2,5-bis(4-chlorophenyl)-3-hydrazinylidene-4-oxohexanedinitrile | 2 - (3E)-2,5-bis(4-chlorophenyl)-3-hydrazinylidene-4-oxohexanedinitrile
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off