| MolName | (E)-3-(2-chlorophenyl)-N-[3-[[(E)-3-(2-chlorophenyl)prop-2-enoyl]amino]-4-phenyldiazenylphenyl]prop-2-enamide |
| MolecularFormula | C30H22N4O2Cl2 |
| Smiles | O=C(/C=C/c(cccc1)c1Cl)Nc(cc1)cc(NC(/C=C/c(cccc2)c2Cl)=O)c1/N=N/c1ccccc1 |
| InChI | InChI=1S/C30H22Cl2N4O2/c31-25-12-6-4-8-21(25)14-18-29(37)33-24-16-17-27(36-35-23-10-2-1-3-11-23)28(20-24)34-30(38)19-15-22-9-5-7-13-26(22)32/h1-20H,(H,33,37)(H,34,38) |
| InChIK | MNSPBKDFDGNWBT-UHFFFAOYSA-N |
| TotalMolweight | 541.437 |
| Molweight | 541.437 |
| MonoisotopicMass | 540.11198 |
| CLogP | 8.0272 |
| CLogS | -9.344 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 417.82 |
| Relative PSA | 0.17237 |
| PolarSurfaceArea | 82.92 |
| Druglikeness | -4.9129 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | low |
| Nasty Functions | azo |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 38 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| 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-chlorophenyl)-N-[3-[[(E)-3-(2-chlorophenyl)prop-2-enoyl]amino]-4-phenyldiazenylphenyl]prop-2-enamide | 2 - (E)-3-(2-chlorophenyl)-N-[3-[[(E)-3-(2-chlorophenyl)prop-2-enoyl]amino]-4-phenyldiazenylphenyl]prop-2-enamide