(E)-4-(cyclohexylamino)-4-oxobut-2-enoate
Formula:C10H14NO3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-4-(cyclohexylamino)-4-oxobut-2-enoate is a drug-like molecule.
| MolName | (E)-4-(cyclohexylamino)-4-oxobut-2-enoate |
| MolecularFormula | C10H14NO3 |
| Smiles | [O-]C(/C=C/C(NC1CCCCC1)=O)=O |
| InChI | InChI=1S/C10H15NO3/c12-9(6-7-10(13)14)11-8-4-2-1-3-5-8/h6-8H,1-5H2,(H,11,12)(H,13,14)/p-1 |
| InChIK | DEWAGGNAHQGYBD-UHFFFAOYSA-M |
| TotalMolweight | 196.225 |
| Molweight | 196.225 |
| MonoisotopicMass | 196.097369 |
| CLogP | -1.4854 |
| CLogS | -1.812 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 162.29 |
| Relative PSA | 0.3193 |
| PolarSurfaceArea | 69.23 |
| Druglikeness | -3.8437 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.71429 |
| Fragments | 1 |
| Non HAtoms | 14 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 3 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Sp3Atoms | 7 |
| Symmetricatoms | 2 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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