6,7-dihydroxy-4-(piperidin-1-ium-1-ylmethyl)chromen-2-one
Formula:C15H18NO4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
6,7-dihydroxy-4-(piperidin-1-ium-1-ylmethyl)chromen-2-one is a drug-like molecule.
| MolName | 6,7-dihydroxy-4-(piperidin-1-ium-1-ylmethyl)chromen-2-one |
| MolecularFormula | C15H18NO4 |
| Smiles | Oc(c(O)c1)cc(C(C[NH+]2CCCCC2)=C2)c1OC2=O |
| InChI | InChI=1S/C15H17NO4/c17-12-7-11-10(9-16-4-2-1-3-5-16)6-15(19)20-14(11)8-13(12)18/h6-8,17-18H,1-5,9H2/p+1 |
| InChIK | MIBJVUQJZUZBOP-UHFFFAOYSA-O |
| TotalMolweight | 276.311 |
| Molweight | 276.311 |
| MonoisotopicMass | 276.123584 |
| CLogP | -0.799 |
| CLogS | -1.586 |
| H Acceptors | 5 |
| H Donors | 3 |
| TotalSurfaceArea | 218.32 |
| Relative PSA | 0.30611 |
| PolarSurfaceArea | 71.2 |
| Druglikeness | -5.8287 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.55 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 10 |
| Symmetricatoms | 2 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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