| MolName | (E)-3-(2,4-dichlorophenyl)-N-[3-[[(E)-3-(2,4-dichlorophenyl)prop-2-enoyl]amino]-4-phenyldiazenylphenyl]prop-2-enamide |
| MolecularFormula | C30H20N4O2Cl4 |
| Smiles | O=C(/C=C/c(ccc(Cl)c1)c1Cl)Nc(cc1)cc(NC(/C=C/c(ccc(Cl)c2)c2Cl)=O)c1/N=N/c1ccccc1 |
| InChI | InChI=1S/C30H20Cl4N4O2/c31-21-10-6-19(25(33)16-21)8-14-29(39)35-24-12-13-27(38-37-23-4-2-1-3-5-23)28(18-24)36-30(40)15-9-20-7-11-22(32)17-26(20)34/h1-18H,(H,35,39)(H,36,40) |
| InChIK | SOULXJOJYXHXJM-UHFFFAOYSA-N |
| TotalMolweight | 610.327 |
| Molweight | 610.327 |
| MonoisotopicMass | 608.034034 |
| CLogP | 9.2392 |
| CLogS | -10.816 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 448.66 |
| Relative PSA | 0.16052 |
| PolarSurfaceArea | 82.92 |
| Druglikeness | -4.9129 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | low |
| Nasty Functions | azo |
| Shape Index | 0.525 |
| Fragments | 1 |
| Non HAtoms | 40 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 8 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 24 |
| Symmetricatoms | 2 |
| Amides | 2 |
| StereoCon |
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1 - (E)-3-(2,4-dichlorophenyl)-N-[3-[[(E)-3-(2,4-dichlorophenyl)prop-2-enoyl]amino]-4-phenyldiazenylphenyl]prop-2-enamide | 2 - (E)-3-(2,4-dichlorophenyl)-N-[3-[[(E)-3-(2,4-dichlorophenyl)prop-2-enoyl]amino]-4-phenyldiazenylphenyl]prop-2-enamide