2-[(4-chloronaphthalen-1-yl)oxymethyl]oxirane
Formula:C13H11O2Cl
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
2-[(4-chloronaphthalen-1-yl)oxymethyl]oxirane is a drug-like molecule.
| MolName | 2-[(4-chloronaphthalen-1-yl)oxymethyl]oxirane |
| MolecularFormula | C13H11O2Cl |
| Smiles | Clc(c1ccccc11)ccc1OCC1OC1 |
| InChI | InChI=1S/C13H11ClO2/c14-12-5-6-13(16-8-9-7-15-9)11-4-2-1-3-10(11)12/h1-6,9H,7-8H2/t9-/m1/s1 |
| InChIK | ROMPTBQYHBEQFU-SECBINFHSA-N |
| TotalMolweight | 234.681 |
| Molweight | 234.681 |
| MonoisotopicMass | 234.044757 |
| CLogP | 3.0058 |
| CLogS | -4.121 |
| H Acceptors | 2 |
| TotalSurfaceArea | 177.45 |
| Relative PSA | 0.15582 |
| PolarSurfaceArea | 21.76 |
| Druglikeness | -7.0545 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | high |
| Nasty Functions | oxiran/aziridine |
| Shape Index | 0.5625 |
| Fragments | 1 |
| Non HAtoms | 16 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| StereoCenters | 1 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 10 |
| Sp3Atoms | 5 |
| StereoCon | racemate |
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1 - 2-[(4-chloronaphthalen-1-yl)oxymethyl]oxirane | 2 - 2-[(4-chloronaphthalen-1-yl)oxymethyl]oxirane
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