[2-(cyclooctylamino)-2-oxoethyl] (E)-3-(2,4-dichlorophenyl)prop-2-enoate
Formula:C19H23NO3Cl2
Mutagenic:none
Tumorigenic:low
Reproductive Effective:none
[2-(cyclooctylamino)-2-oxoethyl] (E)-3-(2,4-dichlorophenyl)prop-2-enoate is not a drug-like molecule.
| MolName | [2-(cyclooctylamino)-2-oxoethyl] (E)-3-(2,4-dichlorophenyl)prop-2-enoate |
| MolecularFormula | C19H23NO3Cl2 |
| Smiles | O=C(COC(/C=C/c(ccc(Cl)c1)c1Cl)=O)NC1CCCCCCC1 |
| InChI | InChI=1S/C19H23Cl2NO3/c20-15-10-8-14(17(21)12-15)9-11-19(24)25-13-18(23)22-16-6-4-2-1-3-5-7-16/h8-12,16H,1-7,13H2,(H,22,23) |
| InChIK | UEVADCANESXKPK-UHFFFAOYSA-N |
| TotalMolweight | 384.302 |
| Molweight | 384.302 |
| MonoisotopicMass | 383.105498 |
| CLogP | 5.1667 |
| CLogS | -5.48 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 296.64 |
| Relative PSA | 0.16026 |
| PolarSurfaceArea | 55.4 |
| Druglikeness | -3.9137 |
| Mutagenic | none |
| Tumorigenic | low |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.68 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 6 |
| Rings Closures | 2 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 10 |
| Symmetricatoms | 3 |
| Amides | 1 |
| StereoCon |
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1 - [2-(cyclooctylamino)-2-oxoethyl] (E)-3-(2,4-dichlorophenyl)prop-2-enoate | 2 - [2-(cyclooctylamino)-2-oxoethyl] (E)-3-(2,4-dichlorophenyl)prop-2-enoate
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