(E)-3-(1,2-dihydroisoquinolin-1-yl)-1-phenylprop-2-en-1-one
Formula:C18H15NO
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-3-(1,2-dihydroisoquinolin-1-yl)-1-phenylprop-2-en-1-one is a drug-like molecule.
| MolName | (E)-3-(1,2-dihydroisoquinolin-1-yl)-1-phenylprop-2-en-1-one |
| MolecularFormula | C18H15NO |
| Smiles | O=C(/C=C/C1NC=Cc2c1cccc2)c1ccccc1 |
| InChI | InChI=1S/C18H15NO/c20-18(15-7-2-1-3-8-15)11-10-17-16-9-5-4-6-14(16)12-13-19-17/h1-13,17,19H/t17-/m0/s1 |
| InChIK | ZLAKNSZDPIKOFF-KRWDZBQOSA-N |
| TotalMolweight | 261.323 |
| Molweight | 261.323 |
| MonoisotopicMass | 261.115364 |
| CLogP | 3.014 |
| CLogS | -4.127 |
| H Acceptors | 2 |
| H Donors | 1 |
| TotalSurfaceArea | 214.23 |
| Relative PSA | 0.11436 |
| PolarSurfaceArea | 29.1 |
| Druglikeness | 1.1091 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 2 |
| Electronegative Atoms | 2 |
| StereoCenters | 1 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| BasicNitrogens | 1 |
| StereoCon | racemate |
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