(3R)-3-amino-4-naphthalen-1-ylbutanoic acid
Formula:C14H15NO2
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
(3R)-3-amino-4-naphthalen-1-ylbutanoic acid is a drug-like molecule.
| MolName | (3R)-3-amino-4-naphthalen-1-ylbutanoic acid |
| MolecularFormula | C14H15NO2 |
| Smiles | N[C@@H](CC(O)=O)Cc1cccc2ccccc12 |
| InChI | InChI=1S/C14H15NO2/c15-12(9-14(16)17)8-11-6-3-5-10-4-1-2-7-13(10)11/h1-7,12H,8-9,15H2,(H,16,17)/t12-/m1/s1 |
| InChIK | VEJIDCKYNSOIIN-GFCCVEGCSA-N |
| TotalMolweight | 229.278 |
| Molweight | 229.278 |
| MonoisotopicMass | 229.110279 |
| CLogP | 0.0996 |
| CLogS | -3.417 |
| H Acceptors | 3 |
| H Donors | 2 |
| TotalSurfaceArea | 180.5 |
| Relative PSA | 0.22942 |
| PolarSurfaceArea | 63.32 |
| Druglikeness | -0.65809 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.58824 |
| Fragments | 1 |
| Non HAtoms | 17 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| StereoCenters | 1 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 10 |
| Sp3Atoms | 5 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon | this enantiomer |
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