7-hydroxy-3-phenyl-8-(pyrrolidin-1-ylmethyl)chromen-2-one
Formula:C20H19NO3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
7-hydroxy-3-phenyl-8-(pyrrolidin-1-ylmethyl)chromen-2-one is a drug-like molecule.
| MolName | 7-hydroxy-3-phenyl-8-(pyrrolidin-1-ylmethyl)chromen-2-one |
| MolecularFormula | C20H19NO3 |
| Smiles | Oc(cc1)c(CN2CCCC2)c(O2)c1C=C(c1ccccc1)C2=O |
| InChI | InChI=1S/C20H19NO3/c22-18-9-8-15-12-16(14-6-2-1-3-7-14)20(23)24-19(15)17(18)13-21-10-4-5-11-21/h1-3,6-9,12,22H,4-5,10-11,13H2 |
| InChIK | BWBFDBLAVCCXPV-UHFFFAOYSA-N |
| TotalMolweight | 321.375 |
| Molweight | 321.375 |
| MonoisotopicMass | 321.136494 |
| CLogP | 2.8208 |
| CLogS | -3.231 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 243.93 |
| Relative PSA | 0.16271 |
| PolarSurfaceArea | 49.77 |
| Druglikeness | 2.965 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.54167 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 8 |
| Symmetricatoms | 4 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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