| MolName | N-[(E)-[(E)-1,3-bis(4-methoxyphenyl)prop-2-enylidene]amino]-3-chlorobenzamide |
| MolecularFormula | C24H21N2O3Cl |
| Smiles | COc1ccc(/C=C/C(/c(cc2)ccc2OC)=N\NC(c2cccc(Cl)c2)=O)cc1 |
| InChI | InChI=1S/C24H21ClN2O3/c1-29-21-11-6-17(7-12-21)8-15-23(18-9-13-22(30-2)14-10-18)26-27-24(28)19-4-3-5-20(25)16-19/h3-16H,1-2H3,(H,27,28) |
| InChIK | MXLGWPXCLBCPFV-UHFFFAOYSA-N |
| TotalMolweight | 420.895 |
| Molweight | 420.895 |
| MonoisotopicMass | 420.12407 |
| CLogP | 5.3785 |
| CLogS | -6.393 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 331.4 |
| Relative PSA | 0.16901 |
| PolarSurfaceArea | 59.92 |
| Druglikeness | 3.3964 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone |
| Shape Index | 0.53333 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 4 |
| Symmetricatoms | 4 |
| StereoCon |
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1 - N-[(E)-[(E)-1,3-bis(4-methoxyphenyl)prop-2-enylidene]amino]-3-chlorobenzamide | 2 - N-[(E)-[(E)-1,3-bis(4-methoxyphenyl)prop-2-enylidene]amino]-3-chlorobenzamide