7-hydroxy-3-phenyl-8-(pyrrolidin-1-ium-1-ylmethyl)chromen-4-one
Formula:C20H20NO3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
7-hydroxy-3-phenyl-8-(pyrrolidin-1-ium-1-ylmethyl)chromen-4-one is a drug-like molecule.
| MolName | 7-hydroxy-3-phenyl-8-(pyrrolidin-1-ium-1-ylmethyl)chromen-4-one |
| MolecularFormula | C20H20NO3 |
| Smiles | Oc(cc1)c(C[NH+]2CCCC2)c(OC=C2c3ccccc3)c1C2=O |
| InChI | InChI=1S/C20H19NO3/c22-18-9-8-15-19(23)17(14-6-2-1-3-7-14)13-24-20(15)16(18)12-21-10-4-5-11-21/h1-3,6-9,13,22H,4-5,10-12H2/p+1 |
| InChIK | KNUBLUWOFCGKRZ-UHFFFAOYSA-O |
| TotalMolweight | 322.383 |
| Molweight | 322.383 |
| MonoisotopicMass | 322.144319 |
| CLogP | 0.6228 |
| CLogS | -3.519 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 257.97 |
| Relative PSA | 0.20828 |
| PolarSurfaceArea | 50.97 |
| Druglikeness | -1.0831 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| 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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