(E)-3-anilino-1-(5,6,7,8-tetrahydronaphthalen-2-yl)prop-2-en-1-one
Formula:C19H19NO
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-3-anilino-1-(5,6,7,8-tetrahydronaphthalen-2-yl)prop-2-en-1-one is a drug-like molecule.
| MolName | (E)-3-anilino-1-(5,6,7,8-tetrahydronaphthalen-2-yl)prop-2-en-1-one |
| MolecularFormula | C19H19NO |
| Smiles | O=C(/C=C/Nc1ccccc1)c1cc(CCCC2)c2cc1 |
| InChI | InChI=1S/C19H19NO/c21-19(12-13-20-18-8-2-1-3-9-18)17-11-10-15-6-4-5-7-16(15)14-17/h1-3,8-14,20H,4-7H2 |
| InChIK | RLXRXNNLQWGEDG-UHFFFAOYSA-N |
| TotalMolweight | 277.366 |
| Molweight | 277.366 |
| MonoisotopicMass | 277.146664 |
| CLogP | 3.6313 |
| CLogS | -4.878 |
| H Acceptors | 2 |
| H Donors | 1 |
| TotalSurfaceArea | 230.27 |
| Relative PSA | 0.1064 |
| PolarSurfaceArea | 29.1 |
| Druglikeness | -4.7827 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 2 |
| Electronegative Atoms | 2 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| Symmetricatoms | 2 |
| StereoCon |
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