[(2R)-2-hydroxy-2-phenylethyl]-[[5-(4-methoxycarbonylphenyl)furan-2-yl]methyl]azanium
Formula:C21H22NO4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[(2R)-2-hydroxy-2-phenylethyl]-[[5-(4-methoxycarbonylphenyl)furan-2-yl]methyl]azanium is a drug-like molecule.
| MolName | [(2R)-2-hydroxy-2-phenylethyl]-[[5-(4-methoxycarbonylphenyl)furan-2-yl]methyl]azanium |
| MolecularFormula | C21H22NO4 |
| Smiles | COC(c(cc1)ccc1-c1ccc(C[NH2+]C[C@@H](c2ccccc2)O)o1)=O |
| InChI | InChI=1S/C21H21NO4/c1-25-21(24)17-9-7-16(8-10-17)20-12-11-18(26-20)13-22-14-19(23)15-5-3-2-4-6-15/h2-12,19,22-23H,13-14H2,1H3/p+1/t19-/m0/s1 |
| InChIK | IZCMAOLFFOUIRG-IBGZPJMESA-O |
| TotalMolweight | 352.409 |
| Molweight | 352.409 |
| MonoisotopicMass | 352.154884 |
| CLogP | 1.4213 |
| CLogS | -3.98 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 276.59 |
| Relative PSA | 0.20966 |
| PolarSurfaceArea | 76.28 |
| Druglikeness | -1.4541 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.69231 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| StereoCenters | 1 |
| Rotatable Bond | 8 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 7 |
| Symmetricatoms | 4 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| StereoCon | this enantiomer |
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1 - [(2R)-2-hydroxy-2-phenylethyl]-[[5-(4-methoxycarbonylphenyl)furan-2-yl]methyl]azanium | 2 - [(2R)-2-hydroxy-2-phenylethyl]-[[5-(4-methoxycarbonylphenyl)furan-2-yl]methyl]azanium
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