propyl 2-[4-[(2-chlorophenyl)carbamoyl]phenoxy]acetate
Formula:C18H18NO4Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
propyl 2-[4-[(2-chlorophenyl)carbamoyl]phenoxy]acetate is a drug-like molecule.
| MolName | propyl 2-[4-[(2-chlorophenyl)carbamoyl]phenoxy]acetate |
| MolecularFormula | C18H18NO4Cl |
| Smiles | CCCOC(COc(cc1)ccc1C(Nc(cccc1)c1Cl)=O)=O |
| InChI | InChI=1S/C18H18ClNO4/c1-2-11-23-17(21)12-24-14-9-7-13(8-10-14)18(22)20-16-6-4-3-5-15(16)19/h3-10H,2,11-12H2,1H3,(H,20,22) |
| InChIK | PLCYDFGDLUWIJK-UHFFFAOYSA-N |
| TotalMolweight | 347.797 |
| Molweight | 347.797 |
| MonoisotopicMass | 347.092436 |
| CLogP | 3.7617 |
| CLogS | -4.355 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 268.94 |
| Relative PSA | 0.21395 |
| PolarSurfaceArea | 64.63 |
| Druglikeness | 0.77021 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | low |
| Nasty Functions | |
| Shape Index | 0.70833 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 8 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 6 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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1 - propyl 2-[4-[(2-chlorophenyl)carbamoyl]phenoxy]acetate | 2 - propyl 2-[4-[(2-chlorophenyl)carbamoyl]phenoxy]acetate
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