2-amino-3-(4-aminophenyl)sulfanylpropanoic acid
Formula:C9H12N2O2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-amino-3-(4-aminophenyl)sulfanylpropanoic acid is a drug-like molecule.
| MolName | 2-amino-3-(4-aminophenyl)sulfanylpropanoic acid |
| MolecularFormula | C9H12N2O2S |
| Smiles | NC(CSc(cc1)ccc1N)C(O)=O |
| InChI | InChI=1S/C9H12N2O2S/c10-6-1-3-7(4-2-6)14-5-8(11)9(12)13/h1-4,8H,5,10-11H2,(H,12,13)/t8-/m0/s1 |
| InChIK | MKNUDZLYGPHPRY-QMMMGPOBSA-N |
| TotalMolweight | 212.272 |
| Molweight | 212.272 |
| MonoisotopicMass | 212.061948 |
| CLogP | -2.0118 |
| CLogS | -2.194 |
| H Acceptors | 4 |
| H Donors | 3 |
| TotalSurfaceArea | 158.15 |
| Relative PSA | 0.46899 |
| PolarSurfaceArea | 114.64 |
| Druglikeness | -6.2456 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.71429 |
| Fragments | 1 |
| Non HAtoms | 14 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| StereoCenters | 1 |
| Rotatable Bond | 4 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 5 |
| Symmetricatoms | 2 |
| Amines | 2 |
| AlkylAmines | 1 |
| Aromatic Amines | 1 |
| BasicNitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon | racemate |
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1 - 2-amino-3-(4-aminophenyl)sulfanylpropanoic acid | 2 - 2-amino-3-(4-aminophenyl)sulfanylpropanoic acid
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