(E)-2-amino-4,5-dichloropent-4-enoic acid
Formula:C5H7NO2Cl2
Mutagenic:high
Tumorigenic:low
Reproductive Effective:high
(E)-2-amino-4,5-dichloropent-4-enoic acid is a drug-like molecule.
| MolName | (E)-2-amino-4,5-dichloropent-4-enoic acid |
| MolecularFormula | C5H7NO2Cl2 |
| Smiles | NC(C/C(/Cl)=C\Cl)C(O)=O |
| InChI | InChI=1S/C5H7Cl2NO2/c6-2-3(7)1-4(8)5(9)10/h2,4H,1,8H2,(H,9,10)/t4-/m0/s1 |
| InChIK | GFBSXYDTHBSBQJ-BYPYZUCNSA-N |
| TotalMolweight | 184.022 |
| Molweight | 184.022 |
| MonoisotopicMass | 182.985383 |
| CLogP | -1.6829 |
| CLogS | -1.984 |
| H Acceptors | 3 |
| H Donors | 2 |
| TotalSurfaceArea | 127.93 |
| Relative PSA | 0.32369 |
| PolarSurfaceArea | 63.32 |
| Druglikeness | -10.493 |
| Mutagenic | high |
| Tumorigenic | low |
| Reproductive Effective | high |
| Irritant | low |
| Nasty Functions | 1,2-dihalo-alkene |
| Shape Index | 0.7 |
| Fragments | 1 |
| Non HAtoms | 10 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| StereoCenters | 1 |
| Rotatable Bond | 3 |
| Sp3Atoms | 4 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon | racemate |
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