7-hydroxy-3-phenyl-8-(piperidin-1-ylmethyl)chromen-2-one
Formula:C21H21NO3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
7-hydroxy-3-phenyl-8-(piperidin-1-ylmethyl)chromen-2-one is a drug-like molecule.
| MolName | 7-hydroxy-3-phenyl-8-(piperidin-1-ylmethyl)chromen-2-one |
| MolecularFormula | C21H21NO3 |
| Smiles | Oc(cc1)c(CN2CCCCC2)c(O2)c1C=C(c1ccccc1)C2=O |
| InChI | InChI=1S/C21H21NO3/c23-19-10-9-16-13-17(15-7-3-1-4-8-15)21(24)25-20(16)18(19)14-22-11-5-2-6-12-22/h1,3-4,7-10,13,23H,2,5-6,11-12,14H2 |
| InChIK | ZOOGQJOPWJIBRC-UHFFFAOYSA-N |
| TotalMolweight | 335.402 |
| Molweight | 335.402 |
| MonoisotopicMass | 335.152144 |
| CLogP | 3.1628 |
| CLogS | -3.501 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 257.69 |
| Relative PSA | 0.15402 |
| PolarSurfaceArea | 49.77 |
| Druglikeness | 1.605 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.56 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 9 |
| Symmetricatoms | 4 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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