3,4-dichloro-N-[(Z)-[3-[(Z)-[(3,4-dichlorophenyl)hydrazinylidene]methyl]phenyl]methylideneamino]aniline
Formula:C20H14N4Cl4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
3,4-dichloro-N-[(Z)-[3-[(Z)-[(3,4-dichlorophenyl)hydrazinylidene]methyl]phenyl]methylideneamino]aniline is not a drug-like molecule.
| MolName | 3,4-dichloro-N-[(Z)-[3-[(Z)-[(3,4-dichlorophenyl)hydrazinylidene]methyl]phenyl]methylideneamino]aniline |
| MolecularFormula | C20H14N4Cl4 |
| Smiles | Clc(ccc(N/N=C\c1cccc(/C=N\Nc(cc2)cc(Cl)c2Cl)c1)c1)c1Cl |
| InChI | InChI=1S/C20H14Cl4N4/c21-17-6-4-15(9-19(17)23)27-25-11-13-2-1-3-14(8-13)12-26-28-16-5-7-18(22)20(24)10-16/h1-12,27-28H |
| InChIK | QHDQMJCHFPIAGY-UHFFFAOYSA-N |
| TotalMolweight | 452.171 |
| Molweight | 452.171 |
| MonoisotopicMass | 449.997254 |
| CLogP | 10.446 |
| CLogS | -7.626 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 326.9 |
| Relative PSA | 0.14053 |
| PolarSurfaceArea | 48.78 |
| Druglikeness | 2.3845 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.67857 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Symmetricatoms | 13 |
| StereoCon |
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1 - 3,4-dichloro-N-[(Z)-[3-[(Z)-[(3,4-dichlorophenyl)hydrazinylidene]methyl]phenyl]methylideneamino]aniline | 2 - 3,4-dichloro-N-[(Z)-[3-[(Z)-[(3,4-dichlorophenyl)hydrazinylidene]methyl]phenyl]methylideneamino]aniline
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