3-(2-phenylethyl)-2,4-dihydroisochromeno[3,4-f][1,3]benzoxazin-6-one
Formula:C23H19NO3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-(2-phenylethyl)-2,4-dihydroisochromeno[3,4-f][1,3]benzoxazin-6-one is a drug-like molecule.
| MolName | 3-(2-phenylethyl)-2,4-dihydroisochromeno[3,4-f][1,3]benzoxazin-6-one |
| MolecularFormula | C23H19NO3 |
| Smiles | O=C1Oc(c2c(cc3)OCN(CCc4ccccc4)C2)c3-c2c1cccc2 |
| InChI | InChI=1S/C23H19NO3/c25-23-19-9-5-4-8-17(19)18-10-11-21-20(22(18)27-23)14-24(15-26-21)13-12-16-6-2-1-3-7-16/h1-11H,12-15H2 |
| InChIK | QMUAMDYXCZAVGZ-UHFFFAOYSA-N |
| TotalMolweight | 357.408 |
| Molweight | 357.408 |
| MonoisotopicMass | 357.136494 |
| CLogP | 4.442 |
| CLogS | -5.728 |
| H Acceptors | 4 |
| TotalSurfaceArea | 268.87 |
| Relative PSA | 0.13609 |
| PolarSurfaceArea | 38.77 |
| Druglikeness | 1.8025 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.55556 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 3 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 7 |
| Symmetricatoms | 2 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - 3-(2-phenylethyl)-2,4-dihydroisochromeno[3,4-f][1,3]benzoxazin-6-one | 2 - 3-(2-phenylethyl)-2,4-dihydroisochromeno[3,4-f][1,3]benzoxazin-6-one
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