2-amino-3-[(E)-2-carboxyethenyl]sulfanylpropanoic acid
Formula:C6H9NO4S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-amino-3-[(E)-2-carboxyethenyl]sulfanylpropanoic acid is a drug-like molecule.
| MolName | 2-amino-3-[(E)-2-carboxyethenyl]sulfanylpropanoic acid |
| MolecularFormula | C6H9NO4S |
| Smiles | NC(CS/C=C/C(O)=O)C(O)=O |
| InChI | InChI=1S/C6H9NO4S/c7-4(6(10)11)3-12-2-1-5(8)9/h1-2,4H,3,7H2,(H,8,9)(H,10,11)/t4-/m0/s1 |
| InChIK | RVTMDFDZIJFSEM-BYPYZUCNSA-N |
| TotalMolweight | 191.206 |
| Molweight | 191.206 |
| MonoisotopicMass | 191.025229 |
| CLogP | -3.4583 |
| CLogS | -0.704 |
| H Acceptors | 5 |
| H Donors | 3 |
| TotalSurfaceArea | 140.47 |
| Relative PSA | 0.6054 |
| PolarSurfaceArea | 125.92 |
| Druglikeness | -5.4284 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.75 |
| Fragments | 1 |
| Non HAtoms | 12 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| StereoCenters | 1 |
| Rotatable Bond | 5 |
| Sp3Atoms | 6 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| AcidicOxygens | 2 |
| StereoCon | racemate |
Click to Load Molecule:
1 - 2-amino-3-[(E)-2-carboxyethenyl]sulfanylpropanoic acid | 2 - 2-amino-3-[(E)-2-carboxyethenyl]sulfanylpropanoic acid
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off