(3R)-3-amino-4-(2-bromophenyl)butanoic acid
Formula:C10H12NO2Br
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(3R)-3-amino-4-(2-bromophenyl)butanoic acid is a drug-like molecule.
| MolName | (3R)-3-amino-4-(2-bromophenyl)butanoic acid |
| MolecularFormula | C10H12NO2Br |
| Smiles | N[C@@H](CC(O)=O)Cc(cccc1)c1Br |
| InChI | InChI=1S/C10H12BrNO2/c11-9-4-2-1-3-7(9)5-8(12)6-10(13)14/h1-4,8H,5-6,12H2,(H,13,14)/t8-/m1/s1 |
| InChIK | GKIOKKDLKBJXIS-MRVPVSSYSA-N |
| TotalMolweight | 258.114 |
| Molweight | 258.114 |
| MonoisotopicMass | 257.00514 |
| CLogP | -0.3696 |
| CLogS | -2.645 |
| H Acceptors | 3 |
| H Donors | 2 |
| TotalSurfaceArea | 164.53 |
| Relative PSA | 0.25169 |
| PolarSurfaceArea | 63.32 |
| Druglikeness | -2.4481 |
| 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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1 - (3R)-3-amino-4-(2-bromophenyl)butanoic acid | 2 - (3R)-3-amino-4-(2-bromophenyl)butanoic acid
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