[2-(1H-indol-3-yl)-2-oxoethyl] (E)-3-(furan-2-yl)prop-2-enoate
Formula:C17H13NO4
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
[2-(1H-indol-3-yl)-2-oxoethyl] (E)-3-(furan-2-yl)prop-2-enoate is a drug-like molecule.
| MolName | [2-(1H-indol-3-yl)-2-oxoethyl] (E)-3-(furan-2-yl)prop-2-enoate |
| MolecularFormula | C17H13NO4 |
| Smiles | O=C(COC(/C=C/c1ccco1)=O)c1c[nH]c2c1cccc2 |
| InChI | InChI=1S/C17H13NO4/c19-16(14-10-18-15-6-2-1-5-13(14)15)11-22-17(20)8-7-12-4-3-9-21-12/h1-10,18H,11H2 |
| InChIK | ISQAIOOZCFJUNY-UHFFFAOYSA-N |
| TotalMolweight | 295.293 |
| Molweight | 295.293 |
| MonoisotopicMass | 295.084459 |
| CLogP | 2.0898 |
| CLogS | -3.95 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 232.64 |
| Relative PSA | 0.27588 |
| PolarSurfaceArea | 72.3 |
| Druglikeness | 0.59417 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.63636 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 14 |
| Sp3Atoms | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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