(E)-3-phenyl-N-[(E)-3-phenylprop-2-enyl]prop-2-enamide
Formula:C18H17NO
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-3-phenyl-N-[(E)-3-phenylprop-2-enyl]prop-2-enamide is a drug-like molecule.
| MolName | (E)-3-phenyl-N-[(E)-3-phenylprop-2-enyl]prop-2-enamide |
| MolecularFormula | C18H17NO |
| Smiles | O=C(/C=C/c1ccccc1)NC/C=C/c1ccccc1 |
| InChI | InChI=1S/C18H17NO/c20-18(14-13-17-10-5-2-6-11-17)19-15-7-12-16-8-3-1-4-9-16/h1-14H,15H2,(H,19,20) |
| InChIK | MCQDJXMRZFVXCG-UHFFFAOYSA-N |
| TotalMolweight | 263.339 |
| Molweight | 263.339 |
| MonoisotopicMass | 263.131014 |
| CLogP | 3.6069 |
| CLogS | -3.831 |
| H Acceptors | 2 |
| H Donors | 1 |
| TotalSurfaceArea | 228.99 |
| Relative PSA | 0.10699 |
| PolarSurfaceArea | 29.1 |
| Druglikeness | 0.091837 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.75 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 2 |
| Electronegative Atoms | 2 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon |
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