N-(4-acetylphenyl)-4-(4-chloro-2-methylphenoxy)butanamide
Formula:C19H20NO3Cl
Mutagenic:high
Tumorigenic:high
Reproductive Effective:low
N-(4-acetylphenyl)-4-(4-chloro-2-methylphenoxy)butanamide is a drug-like molecule.
| MolName | N-(4-acetylphenyl)-4-(4-chloro-2-methylphenoxy)butanamide |
| MolecularFormula | C19H20NO3Cl |
| Smiles | CC(c(cc1)ccc1NC(CCCOc(cc1)c(C)cc1Cl)=O)=O |
| InChI | InChI=1S/C19H20ClNO3/c1-13-12-16(20)7-10-18(13)24-11-3-4-19(23)21-17-8-5-15(6-9-17)14(2)22/h5-10,12H,3-4,11H2,1-2H3,(H,21,23) |
| InChIK | ZVCPJTDXIXBQNG-UHFFFAOYSA-N |
| TotalMolweight | 345.825 |
| Molweight | 345.825 |
| MonoisotopicMass | 345.113171 |
| CLogP | 4.1119 |
| CLogS | -5.212 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 271.2 |
| Relative PSA | 0.17529 |
| PolarSurfaceArea | 55.4 |
| Druglikeness | -3.0822 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | low |
| Irritant | low |
| Nasty Functions | |
| Shape Index | 0.70833 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 7 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 6 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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