methyl 2-[4-[(cyclooctylamino)methyl]phenoxy]acetate
Formula:C18H27NO3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
methyl 2-[4-[(cyclooctylamino)methyl]phenoxy]acetate is a drug-like molecule.
| MolName | methyl 2-[4-[(cyclooctylamino)methyl]phenoxy]acetate |
| MolecularFormula | C18H27NO3 |
| Smiles | COC(COc1ccc(CNC2CCCCCCC2)cc1)=O |
| InChI | InChI=1S/C18H27NO3/c1-21-18(20)14-22-17-11-9-15(10-12-17)13-19-16-7-5-3-2-4-6-8-16/h9-12,16,19H,2-8,13-14H2,1H3 |
| InChIK | JWTVUNXNKQYJPJ-UHFFFAOYSA-N |
| TotalMolweight | 305.416 |
| Molweight | 305.416 |
| MonoisotopicMass | 305.199094 |
| CLogP | 3.4731 |
| CLogS | -3.527 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 257.57 |
| Relative PSA | 0.17277 |
| PolarSurfaceArea | 47.56 |
| Druglikeness | -6.5513 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.72727 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 7 |
| Rings Closures | 2 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 14 |
| Symmetricatoms | 5 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - methyl 2-[4-[(cyclooctylamino)methyl]phenoxy]acetate | 2 - methyl 2-[4-[(cyclooctylamino)methyl]phenoxy]acetate
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