6-[(7-hydroxy-4-oxo-3-phenoxychromen-8-yl)methylazaniumyl]hexanoate
Formula:C22H23NO6
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
6-[(7-hydroxy-4-oxo-3-phenoxychromen-8-yl)methylazaniumyl]hexanoate is a drug-like molecule.
| MolName | 6-[(7-hydroxy-4-oxo-3-phenoxychromen-8-yl)methylazaniumyl]hexanoate |
| MolecularFormula | C22H23NO6 |
| Smiles | [O-]C(CCCCC[NH2+]Cc(c(OC=C1Oc2ccccc2)c(cc2)C1=O)c2O)=O |
| InChI | InChI=1S/C22H23NO6/c24-18-11-10-16-21(27)19(29-15-7-3-1-4-8-15)14-28-22(16)17(18)13-23-12-6-2-5-9-20(25)26/h1,3-4,7-8,10-11,14,23-24H,2,5-6,9,12-13H2,(H,25,26) |
| InChIK | BTZRGQCAXPMWKM-UHFFFAOYSA-N |
| TotalMolweight | 397.426 |
| Molweight | 397.426 |
| MonoisotopicMass | 397.152539 |
| CLogP | 0.5773 |
| CLogS | -4.481 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 303.91 |
| Relative PSA | 0.26718 |
| PolarSurfaceArea | 112.5 |
| Druglikeness | -8.6424 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.65517 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 10 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 11 |
| Symmetricatoms | 2 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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