(E)-3-anilino-1,3-diphenylprop-2-en-1-one
Formula:C21H17NO
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-3-anilino-1,3-diphenylprop-2-en-1-one is a drug-like molecule.
| MolName | (E)-3-anilino-1,3-diphenylprop-2-en-1-one |
| MolecularFormula | C21H17NO |
| Smiles | O=C(/C=C(\c1ccccc1)/Nc1ccccc1)c1ccccc1 |
| InChI | InChI=1S/C21H17NO/c23-21(18-12-6-2-7-13-18)16-20(17-10-4-1-5-11-17)22-19-14-8-3-9-15-19/h1-16,22H |
| InChIK | HMISYHGFKCQJIH-UHFFFAOYSA-N |
| TotalMolweight | 299.372 |
| Molweight | 299.372 |
| MonoisotopicMass | 299.131014 |
| CLogP | 4.2611 |
| CLogS | -4.872 |
| H Acceptors | 2 |
| H Donors | 1 |
| TotalSurfaceArea | 246.7 |
| Relative PSA | 0.099311 |
| PolarSurfaceArea | 29.1 |
| Druglikeness | 1.5029 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.52174 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 2 |
| Electronegative Atoms | 2 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Symmetricatoms | 6 |
| StereoCon |
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