4-(2,3-dihydroindol-1-ylmethyl)-7-hydroxychromen-2-one
Formula:C18H15NO3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
4-(2,3-dihydroindol-1-ylmethyl)-7-hydroxychromen-2-one is a drug-like molecule.
| MolName | 4-(2,3-dihydroindol-1-ylmethyl)-7-hydroxychromen-2-one |
| MolecularFormula | C18H15NO3 |
| Smiles | Oc(cc1)cc(O2)c1C(CN(CC1)c3c1cccc3)=CC2=O |
| InChI | InChI=1S/C18H15NO3/c20-14-5-6-15-13(9-18(21)22-17(15)10-14)11-19-8-7-12-3-1-2-4-16(12)19/h1-6,9-10,20H,7-8,11H2 |
| InChIK | VXIVURMOCLHSIA-UHFFFAOYSA-N |
| TotalMolweight | 293.321 |
| Molweight | 293.321 |
| MonoisotopicMass | 293.105194 |
| CLogP | 2.3524 |
| CLogS | -3.12 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 216.41 |
| Relative PSA | 0.1834 |
| PolarSurfaceArea | 49.77 |
| Druglikeness | 0.74553 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.54545 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 2 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 6 |
| Amines | 1 |
| Aromatic Amines | 1 |
| StereoCon |
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