[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl] (E)-3-(2-chlorophenyl)prop-2-enoate
Formula:C19H22NO3Cl
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl] (E)-3-(2-chlorophenyl)prop-2-enoate is a drug-like molecule.
| MolName | [2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl] (E)-3-(2-chlorophenyl)prop-2-enoate |
| MolecularFormula | C19H22NO3Cl |
| Smiles | O=C(COC(/C=C/c(cccc1)c1Cl)=O)NCCC1=CCCCC1 |
| InChI | InChI=1S/C19H22ClNO3/c20-17-9-5-4-8-16(17)10-11-19(23)24-14-18(22)21-13-12-15-6-2-1-3-7-15/h4-6,8-11H,1-3,7,12-14H2,(H,21,22) |
| InChIK | AWWLMSYHOHBJOO-UHFFFAOYSA-N |
| TotalMolweight | 347.841 |
| Molweight | 347.841 |
| MonoisotopicMass | 347.128821 |
| CLogP | 3.6918 |
| CLogS | -4.262 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 279.67 |
| Relative PSA | 0.16999 |
| PolarSurfaceArea | 55.4 |
| Druglikeness | -4.7534 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.70833 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 8 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 8 |
| Amides | 1 |
| StereoCon |
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