(E)-2-amino-4-phenylbut-3-enoic acid
Formula:C10H11NO2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-2-amino-4-phenylbut-3-enoic acid is a drug-like molecule.
| MolName | (E)-2-amino-4-phenylbut-3-enoic acid |
| MolecularFormula | C10H11NO2 |
| Smiles | NC(/C=C/c1ccccc1)C(O)=O |
| InChI | InChI=1S/C10H11NO2/c11-9(10(12)13)7-6-8-4-2-1-3-5-8/h1-7,9H,11H2,(H,12,13)/t9-/m0/s1 |
| InChIK | JDMFMPYPEPMAGS-VIFPVBQESA-N |
| TotalMolweight | 177.202 |
| Molweight | 177.202 |
| MonoisotopicMass | 177.078979 |
| CLogP | -1.2181 |
| CLogS | -1.946 |
| H Acceptors | 3 |
| H Donors | 2 |
| TotalSurfaceArea | 144.88 |
| Relative PSA | 0.28582 |
| PolarSurfaceArea | 63.32 |
| Druglikeness | -7.8137 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.69231 |
| Fragments | 1 |
| Non HAtoms | 13 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| StereoCenters | 1 |
| Rotatable Bond | 3 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon | racemate |
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