(E)-3-(2-aminoethylsulfanyl)prop-2-enoic acid
Formula:C5H9NO2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-3-(2-aminoethylsulfanyl)prop-2-enoic acid is a drug-like molecule.
| MolName | (E)-3-(2-aminoethylsulfanyl)prop-2-enoic acid |
| MolecularFormula | C5H9NO2S |
| Smiles | NCCS/C=C/C(O)=O |
| InChI | InChI=1S/C5H9NO2S/c6-2-4-9-3-1-5(7)8/h1,3H,2,4,6H2,(H,7,8) |
| InChIK | XBKXMJJWEWJOON-UHFFFAOYSA-N |
| TotalMolweight | 147.197 |
| Molweight | 147.197 |
| MonoisotopicMass | 147.035399 |
| CLogP | -2.5413 |
| CLogS | -0.851 |
| H Acceptors | 3 |
| H Donors | 2 |
| TotalSurfaceArea | 117.63 |
| Relative PSA | 0.50072 |
| PolarSurfaceArea | 88.62 |
| Druglikeness | 0.0581 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.88889 |
| Fragments | 1 |
| Non HAtoms | 9 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 4 |
| Sp3Atoms | 5 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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