[(Z)-6,7-dihydro-5H-1-benzofuran-4-ylideneamino] 2,3-dichlorobenzoate
Formula:C15H11NO3Cl2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
[(Z)-6,7-dihydro-5H-1-benzofuran-4-ylideneamino] 2,3-dichlorobenzoate is a drug-like molecule.
| MolName | [(Z)-6,7-dihydro-5H-1-benzofuran-4-ylideneamino] 2,3-dichlorobenzoate |
| MolecularFormula | C15H11NO3Cl2 |
| Smiles | O=C(c1cccc(Cl)c1Cl)O/N=C(/CCC1)\c2c1occ2 |
| InChI | InChI=1S/C15H11Cl2NO3/c16-11-4-1-3-10(14(11)17)15(19)21-18-12-5-2-6-13-9(12)7-8-20-13/h1,3-4,7-8H,2,5-6H2 |
| InChIK | MLQMSLGDVHFYOH-UHFFFAOYSA-N |
| TotalMolweight | 324.162 |
| Molweight | 324.162 |
| MonoisotopicMass | 323.011598 |
| CLogP | 4.9915 |
| CLogS | -5.874 |
| H Acceptors | 4 |
| TotalSurfaceArea | 232.05 |
| Relative PSA | 0.2097 |
| PolarSurfaceArea | 51.8 |
| Druglikeness | -4.808 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.52381 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 4 |
| StereoCon |
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