6-(azepan-1-ium-1-ylmethyl)-7-hydroxy-2,3-dihydro-1H-cyclopenta[c]chromen-4-one
Formula:C19H24NO3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
6-(azepan-1-ium-1-ylmethyl)-7-hydroxy-2,3-dihydro-1H-cyclopenta[c]chromen-4-one is a drug-like molecule.
| MolName | 6-(azepan-1-ium-1-ylmethyl)-7-hydroxy-2,3-dihydro-1H-cyclopenta[c]chromen-4-one |
| MolecularFormula | C19H24NO3 |
| Smiles | Oc(cc1)c(C[NH+]2CCCCCC2)c(O2)c1C(CCC1)=C1C2=O |
| InChI | InChI=1S/C19H23NO3/c21-17-9-8-14-13-6-5-7-15(13)19(22)23-18(14)16(17)12-20-10-3-1-2-4-11-20/h8-9,21H,1-7,10-12H2/p+1 |
| InChIK | WRPQVMBSNBWZRS-UHFFFAOYSA-O |
| TotalMolweight | 314.404 |
| Molweight | 314.404 |
| MonoisotopicMass | 314.175619 |
| CLogP | 0.7071 |
| CLogS | -3.023 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 251.72 |
| Relative PSA | 0.21345 |
| PolarSurfaceArea | 50.97 |
| Druglikeness | -5.3195 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.47826 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 2 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 13 |
| Symmetricatoms | 3 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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