(E)-N-(2,3-dihydro-1H-inden-5-yl)-3-phenylprop-2-enamide
Formula:C18H17NO
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-N-(2,3-dihydro-1H-inden-5-yl)-3-phenylprop-2-enamide is a drug-like molecule.
| MolName | (E)-N-(2,3-dihydro-1H-inden-5-yl)-3-phenylprop-2-enamide |
| MolecularFormula | C18H17NO |
| Smiles | O=C(/C=C/c1ccccc1)Nc1cc(CCC2)c2cc1 |
| InChI | InChI=1S/C18H17NO/c20-18(12-9-14-5-2-1-3-6-14)19-17-11-10-15-7-4-8-16(15)13-17/h1-3,5-6,9-13H,4,7-8H2,(H,19,20) |
| InChIK | OKEMFPRWPHMEKZ-UHFFFAOYSA-N |
| TotalMolweight | 263.339 |
| Molweight | 263.339 |
| MonoisotopicMass | 263.131014 |
| CLogP | 3.9511 |
| CLogS | -4.32 |
| H Acceptors | 2 |
| H Donors | 1 |
| TotalSurfaceArea | 216.51 |
| Relative PSA | 0.11316 |
| PolarSurfaceArea | 29.1 |
| Druglikeness | -3.4495 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.65 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 2 |
| Electronegative Atoms | 2 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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