2-[(Z)-(4-chlorophenyl)methoxyiminomethyl]benzo[e][1]benzofuran-1-one
Formula:C20H14NO3Cl
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
2-[(Z)-(4-chlorophenyl)methoxyiminomethyl]benzo[e][1]benzofuran-1-one is a drug-like molecule.
| MolName | 2-[(Z)-(4-chlorophenyl)methoxyiminomethyl]benzo[e][1]benzofuran-1-one |
| MolecularFormula | C20H14NO3Cl |
| Smiles | O=C1c(c2ccccc2cc2)c2OC1/C=N\OCc(cc1)ccc1Cl |
| InChI | InChI=1S/C20H14ClNO3/c21-15-8-5-13(6-9-15)12-24-22-11-18-20(23)19-16-4-2-1-3-14(16)7-10-17(19)25-18/h1-11,18H,12H2/t18-/m0/s1 |
| InChIK | FEEXRBCETWKRDZ-SFHVURJKSA-N |
| TotalMolweight | 351.788 |
| Molweight | 351.788 |
| MonoisotopicMass | 351.066221 |
| CLogP | 4.5635 |
| CLogS | -6.294 |
| H Acceptors | 4 |
| TotalSurfaceArea | 258.31 |
| Relative PSA | 0.17247 |
| PolarSurfaceArea | 47.89 |
| Druglikeness | 1.6618 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.64 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| StereoCenters | 1 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 4 |
| Symmetricatoms | 2 |
| StereoCon | racemate |
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