[2-oxo-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethyl] (Z)-3-(4-chlorophenyl)-2-(4-fluorophenyl)prop-2-enoate
Formula:C27H23NO3ClF
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
[2-oxo-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethyl] (Z)-3-(4-chlorophenyl)-2-(4-fluorophenyl)prop-2-enoate is not a drug-like molecule.
| MolName | [2-oxo-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethyl] (Z)-3-(4-chlorophenyl)-2-(4-fluorophenyl)prop-2-enoate |
| MolecularFormula | C27H23NO3ClF |
| Smiles | O=C(COC(/C(/c(cc1)ccc1F)=C\c(cc1)ccc1Cl)=O)NC(CCC1)c2c1cccc2 |
| InChI | InChI=1S/C27H23ClFNO3/c28-21-12-8-18(9-13-21)16-24(20-10-14-22(29)15-11-20)27(32)33-17-26(31)30-25-7-3-5-19-4-1-2-6-23(19)25/h1-2,4,6,8-16,25H,3,5,7,17H2,(H,30,31)/t25-/m0/s1 |
| InChIK | FMOHJIJRUMRYBC-VWLOTQADSA-N |
| TotalMolweight | 463.935 |
| Molweight | 463.935 |
| MonoisotopicMass | 463.135049 |
| CLogP | 5.4753 |
| CLogS | -5.884 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 350.26 |
| Relative PSA | 0.13573 |
| PolarSurfaceArea | 55.4 |
| Druglikeness | -0.14499 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.51515 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| StereoCenters | 1 |
| Rotatable Bond | 7 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 6 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon | racemate |
Click to Load Molecule:
1 - [2-oxo-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethyl] (Z)-3-(4-chlorophenyl)-2-(4-fluorophenyl)prop-2-enoate | 2 - [2-oxo-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethyl] (Z)-3-(4-chlorophenyl)-2-(4-fluorophenyl)prop-2-enoate
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