(E)-4-(2-aminoethylamino)-4-oxobut-2-enoic acid
Formula:C6H10N2O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-4-(2-aminoethylamino)-4-oxobut-2-enoic acid is a drug-like molecule.
| MolName | (E)-4-(2-aminoethylamino)-4-oxobut-2-enoic acid |
| MolecularFormula | C6H10N2O3 |
| Smiles | NCCNC(/C=C/C(O)=O)=O |
| InChI | InChI=1S/C6H10N2O3/c7-3-4-8-5(9)1-2-6(10)11/h1-2H,3-4,7H2,(H,8,9)(H,10,11) |
| InChIK | MJJLJWZRFZWLFC-UHFFFAOYSA-N |
| TotalMolweight | 158.156 |
| Molweight | 158.156 |
| MonoisotopicMass | 158.069143 |
| CLogP | -3.6101 |
| CLogS | -0.107 |
| H Acceptors | 5 |
| H Donors | 3 |
| TotalSurfaceArea | 129.35 |
| Relative PSA | 0.50955 |
| PolarSurfaceArea | 92.42 |
| Druglikeness | -1.0975 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.81818 |
| Fragments | 1 |
| Non HAtoms | 11 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Sp3Atoms | 4 |
| Amides | 1 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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