[(1R)-2-(1H-indol-3-yl)-2-oxo-1-phenylethyl] (E)-3-(4-chlorophenyl)prop-2-enoate
Formula:C25H18NO3Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[(1R)-2-(1H-indol-3-yl)-2-oxo-1-phenylethyl] (E)-3-(4-chlorophenyl)prop-2-enoate is a drug-like molecule.
| MolName | [(1R)-2-(1H-indol-3-yl)-2-oxo-1-phenylethyl] (E)-3-(4-chlorophenyl)prop-2-enoate |
| MolecularFormula | C25H18NO3Cl |
| Smiles | O=C([C@@H](c1ccccc1)OC(/C=C/c(cc1)ccc1Cl)=O)c1c[nH]c2c1cccc2 |
| InChI | InChI=1S/C25H18ClNO3/c26-19-13-10-17(11-14-19)12-15-23(28)30-25(18-6-2-1-3-7-18)24(29)21-16-27-22-9-5-4-8-20(21)22/h1-16,25,27H/t25-/m1/s1 |
| InChIK | SSLJROOYUUBFHU-RUZDIDTESA-N |
| TotalMolweight | 415.875 |
| Molweight | 415.875 |
| MonoisotopicMass | 415.097521 |
| CLogP | 4.8056 |
| CLogS | -6.098 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 316.87 |
| Relative PSA | 0.15801 |
| PolarSurfaceArea | 59.16 |
| Druglikeness | -0.87451 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.53333 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| StereoCenters | 1 |
| Rotatable Bond | 7 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 1 |
| StereoCon | this enantiomer |
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1 - [(1R)-2-(1H-indol-3-yl)-2-oxo-1-phenylethyl] (E)-3-(4-chlorophenyl)prop-2-enoate | 2 - [(1R)-2-(1H-indol-3-yl)-2-oxo-1-phenylethyl] (E)-3-(4-chlorophenyl)prop-2-enoate
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