2-[[(E)-3-oxo-3-phenylprop-1-enyl]amino]acetonitrile
Formula:C11H10N2O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[[(E)-3-oxo-3-phenylprop-1-enyl]amino]acetonitrile is a drug-like molecule.
| MolName | 2-[[(E)-3-oxo-3-phenylprop-1-enyl]amino]acetonitrile |
| MolecularFormula | C11H10N2O |
| Smiles | N#CCN/C=C/C(c1ccccc1)=O |
| InChI | InChI=1S/C11H10N2O/c12-7-9-13-8-6-11(14)10-4-2-1-3-5-10/h1-6,8,13H,9H2 |
| InChIK | DSKHJDCGQNRTTR-UHFFFAOYSA-N |
| TotalMolweight | 186.213 |
| Molweight | 186.213 |
| MonoisotopicMass | 186.079313 |
| CLogP | 0.4177 |
| CLogS | -2.727 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 164.44 |
| Relative PSA | 0.23145 |
| PolarSurfaceArea | 52.89 |
| Druglikeness | -3.17 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.78571 |
| Fragments | 1 |
| Non HAtoms | 14 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 4 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| StereoCon |
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1 - 2-[[(E)-3-oxo-3-phenylprop-1-enyl]amino]acetonitrile | 2 - 2-[[(E)-3-oxo-3-phenylprop-1-enyl]amino]acetonitrile
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