4-(benzylamino)butanoic acid
Formula:C11H15NO2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-(benzylamino)butanoic acid is a drug-like molecule.
| MolName | 4-(benzylamino)butanoic acid |
| MolecularFormula | C11H15NO2 |
| Smiles | OC(CCCNCc1ccccc1)=O |
| InChI | InChI=1S/C11H15NO2/c13-11(14)7-4-8-12-9-10-5-2-1-3-6-10/h1-3,5-6,12H,4,7-9H2,(H,13,14) |
| InChIK | XZJMQNMFQZJPHN-UHFFFAOYSA-N |
| TotalMolweight | 193.245 |
| Molweight | 193.245 |
| MonoisotopicMass | 193.110279 |
| CLogP | -0.3363 |
| CLogS | -1.807 |
| H Acceptors | 3 |
| H Donors | 2 |
| TotalSurfaceArea | 163.86 |
| Relative PSA | 0.22946 |
| PolarSurfaceArea | 49.33 |
| Druglikeness | -0.8895 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.78571 |
| Fragments | 1 |
| Non HAtoms | 14 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 6 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 6 |
| Symmetricatoms | 2 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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