(3R)-3-amino-4-(3-chlorophenyl)butanoic acid
Formula:C10H12NO2Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(3R)-3-amino-4-(3-chlorophenyl)butanoic acid is a drug-like molecule.
| MolName | (3R)-3-amino-4-(3-chlorophenyl)butanoic acid |
| MolecularFormula | C10H12NO2Cl |
| Smiles | N[C@@H](CC(O)=O)Cc1cccc(Cl)c1 |
| InChI | InChI=1S/C10H12ClNO2/c11-8-3-1-2-7(4-8)5-9(12)6-10(13)14/h1-4,9H,5-6,12H2,(H,13,14)/t9-/m1/s1 |
| InChIK | IWIJTZNQNXPKGN-SECBINFHSA-N |
| TotalMolweight | 213.663 |
| Molweight | 213.663 |
| MonoisotopicMass | 213.055656 |
| CLogP | -0.4888 |
| CLogS | -2.547 |
| H Acceptors | 3 |
| H Donors | 2 |
| TotalSurfaceArea | 161.32 |
| Relative PSA | 0.25669 |
| PolarSurfaceArea | 63.32 |
| Druglikeness | -0.53704 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.64286 |
| Fragments | 1 |
| Non HAtoms | 14 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| StereoCenters | 1 |
| Rotatable Bond | 4 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 5 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon | this enantiomer |
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