N-[(1R)-2,2,2-trichloro-1-(4-formylphenoxy)ethyl]benzamide
Formula:C16H12NO3Cl3
Mutagenic:high
Tumorigenic:low
Reproductive Effective:high
N-[(1R)-2,2,2-trichloro-1-(4-formylphenoxy)ethyl]benzamide is a drug-like molecule.
| MolName | N-[(1R)-2,2,2-trichloro-1-(4-formylphenoxy)ethyl]benzamide |
| MolecularFormula | C16H12NO3Cl3 |
| Smiles | O=Cc(cc1)ccc1O[C@H](C(Cl)(Cl)Cl)NC(c1ccccc1)=O |
| InChI | InChI=1S/C16H12Cl3NO3/c17-16(18,19)15(20-14(22)12-4-2-1-3-5-12)23-13-8-6-11(10-21)7-9-13/h1-10,15H,(H,20,22)/t15-/m1/s1 |
| InChIK | KPOQCAWWMLODCA-OAHLLOKOSA-N |
| TotalMolweight | 372.634 |
| Molweight | 372.634 |
| MonoisotopicMass | 370.988275 |
| CLogP | 4.1202 |
| CLogS | -4.717 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 260.94 |
| Relative PSA | 0.18219 |
| PolarSurfaceArea | 55.4 |
| Druglikeness | -0.95158 |
| Mutagenic | high |
| Tumorigenic | low |
| Reproductive Effective | high |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.6087 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| StereoCenters | 1 |
| Rotatable Bond | 6 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 6 |
| Amides | 1 |
| StereoCon | this enantiomer |
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1 - N-[(1R)-2,2,2-trichloro-1-(4-formylphenoxy)ethyl]benzamide | 2 - N-[(1R)-2,2,2-trichloro-1-(4-formylphenoxy)ethyl]benzamide
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