(E,3R)-3-amino-6-phenylhex-5-enoic acid
Formula:C12H15NO2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E,3R)-3-amino-6-phenylhex-5-enoic acid is a drug-like molecule.
| MolName | (E,3R)-3-amino-6-phenylhex-5-enoic acid |
| MolecularFormula | C12H15NO2 |
| Smiles | N[C@H](C/C=C/c1ccccc1)CC(O)=O |
| InChI | InChI=1S/C12H15NO2/c13-11(9-12(14)15)8-4-7-10-5-2-1-3-6-10/h1-7,11H,8-9,13H2,(H,14,15)/t11-/m1/s1 |
| InChIK | BYMYELCZQGMMKN-LLVKDONJSA-N |
| TotalMolweight | 205.256 |
| Molweight | 205.256 |
| MonoisotopicMass | 205.110279 |
| CLogP | -0.3093 |
| CLogS | -2.486 |
| H Acceptors | 3 |
| H Donors | 2 |
| TotalSurfaceArea | 172.4 |
| Relative PSA | 0.2402 |
| PolarSurfaceArea | 63.32 |
| Druglikeness | -1.6682 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.73333 |
| Fragments | 1 |
| Non HAtoms | 15 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| StereoCenters | 1 |
| Rotatable Bond | 5 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 5 |
| Symmetricatoms | 2 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon | this enantiomer |
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