(Z)-2-amino-3-phenylprop-2-enoic acid
Formula:C9H9NO2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(Z)-2-amino-3-phenylprop-2-enoic acid is a drug-like molecule.
| MolName | (Z)-2-amino-3-phenylprop-2-enoic acid |
| MolecularFormula | C9H9NO2 |
| Smiles | N/C(/C(O)=O)=C\c1ccccc1 |
| InChI | InChI=1S/C9H9NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-6H,10H2,(H,11,12) |
| InChIK | YWIQQKOKNPPGDO-UHFFFAOYSA-N |
| TotalMolweight | 163.175 |
| Molweight | 163.175 |
| MonoisotopicMass | 163.063329 |
| CLogP | -0.8174 |
| CLogS | -2.006 |
| H Acceptors | 3 |
| H Donors | 2 |
| TotalSurfaceArea | 130.59 |
| Relative PSA | 0.3171 |
| PolarSurfaceArea | 63.32 |
| Druglikeness | -3.0994 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 12 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 2 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| BasicNitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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