2-[[(E)-4-(2-aminoethyldisulfanyl)but-2-enyl]disulfanyl]ethanamine
Formula:C8H18N2S4
Mutagenic:low
Tumorigenic:none
Reproductive Effective:low
2-[[(E)-4-(2-aminoethyldisulfanyl)but-2-enyl]disulfanyl]ethanamine is a drug-like molecule.
| MolName | 2-[[(E)-4-(2-aminoethyldisulfanyl)but-2-enyl]disulfanyl]ethanamine |
| MolecularFormula | C8H18N2S4 |
| Smiles | NCCSSC/C=C/CSSCCN |
| InChI | InChI=1S/C8H18N2S4/c9-3-7-13-11-5-1-2-6-12-14-8-4-10/h1-2H,3-10H2 |
| InChIK | YCZBSGQPOZUFIL-UHFFFAOYSA-N |
| TotalMolweight | 270.509 |
| Molweight | 270.509 |
| MonoisotopicMass | 270.035278 |
| CLogP | 1.808 |
| CLogS | -3.042 |
| H Acceptors | 2 |
| H Donors | 2 |
| TotalSurfaceArea | 209.56 |
| Relative PSA | 0.47958 |
| PolarSurfaceArea | 153.24 |
| Druglikeness | -1.4658 |
| Mutagenic | low |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 1 |
| Fragments | 1 |
| Non HAtoms | 14 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 10 |
| Sp3Atoms | 12 |
| Symmetricatoms | 7 |
| Amines | 2 |
| AlkylAmines | 2 |
| BasicNitrogens | 2 |
| StereoCon |
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1 - 2-[[(E)-4-(2-aminoethyldisulfanyl)but-2-enyl]disulfanyl]ethanamine | 2 - 2-[[(E)-4-(2-aminoethyldisulfanyl)but-2-enyl]disulfanyl]ethanamine
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