| MolName | (E)-1-(3-aminophenyl)-3-[4-[(E)-3-(3-aminophenyl)-3-oxoprop-1-enyl]phenyl]prop-2-en-1-one |
| MolecularFormula | C24H20N2O2 |
| Smiles | Nc1cccc(C(/C=C/c2ccc(/C=C/C(c3cc(N)ccc3)=O)cc2)=O)c1 |
| InChI | InChI=1S/C24H20N2O2/c25-21-5-1-3-19(15-21)23(27)13-11-17-7-9-18(10-8-17)12-14-24(28)20-4-2-6-22(26)16-20/h1-16H,25-26H2 |
| InChIK | DFJSEIDXVUREKW-UHFFFAOYSA-N |
| TotalMolweight | 368.435 |
| Molweight | 368.435 |
| MonoisotopicMass | 368.152478 |
| CLogP | 3.5934 |
| CLogS | -6.216 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 298.32 |
| Relative PSA | 0.1898 |
| PolarSurfaceArea | 86.18 |
| Druglikeness | 0.27329 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.64286 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Symmetricatoms | 15 |
| Amines | 2 |
| Aromatic Amines | 2 |
| StereoCon |
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1 - (E)-1-(3-aminophenyl)-3-[4-[(E)-3-(3-aminophenyl)-3-oxoprop-1-enyl]phenyl]prop-2-en-1-one | 2 - (E)-1-(3-aminophenyl)-3-[4-[(E)-3-(3-aminophenyl)-3-oxoprop-1-enyl]phenyl]prop-2-en-1-one