(2-amino-2-oxoethyl) (E)-3-quinolin-2-ylprop-2-enoate
Formula:C14H12N2O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(2-amino-2-oxoethyl) (E)-3-quinolin-2-ylprop-2-enoate is a drug-like molecule.
| MolName | (2-amino-2-oxoethyl) (E)-3-quinolin-2-ylprop-2-enoate |
| MolecularFormula | C14H12N2O3 |
| Smiles | NC(COC(/C=C/c1nc2ccccc2cc1)=O)=O |
| InChI | InChI=1S/C14H12N2O3/c15-13(17)9-19-14(18)8-7-11-6-5-10-3-1-2-4-12(10)16-11/h1-8H,9H2,(H2,15,17) |
| InChIK | JLNNJXVVCCOZEZ-UHFFFAOYSA-N |
| TotalMolweight | 256.26 |
| Molweight | 256.26 |
| MonoisotopicMass | 256.084793 |
| CLogP | 1.004 |
| CLogS | -2.708 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 200.9 |
| Relative PSA | 0.3102 |
| PolarSurfaceArea | 82.28 |
| Druglikeness | -0.86014 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.68421 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 10 |
| Sp3Atoms | 2 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - (2-amino-2-oxoethyl) (E)-3-quinolin-2-ylprop-2-enoate | 2 - (2-amino-2-oxoethyl) (E)-3-quinolin-2-ylprop-2-enoate
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