[(Z)-6,7-dihydro-5H-1-benzofuran-4-ylideneamino] 2,4-dichlorobenzoate
Formula:C15H11NO3Cl2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
[(Z)-6,7-dihydro-5H-1-benzofuran-4-ylideneamino] 2,4-dichlorobenzoate is a drug-like molecule.
| MolName | [(Z)-6,7-dihydro-5H-1-benzofuran-4-ylideneamino] 2,4-dichlorobenzoate |
| MolecularFormula | C15H11NO3Cl2 |
| Smiles | O=C(c(ccc(Cl)c1)c1Cl)O/N=C(/CCC1)\c2c1occ2 |
| InChI | InChI=1S/C15H11Cl2NO3/c16-9-4-5-10(12(17)8-9)15(19)21-18-13-2-1-3-14-11(13)6-7-20-14/h4-8H,1-3H2 |
| InChIK | BWSJXFPGAQJCJD-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 | low |
| Nasty Functions | |
| Shape Index | 0.57143 |
| 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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1 - [(Z)-6,7-dihydro-5H-1-benzofuran-4-ylideneamino] 2,4-dichlorobenzoate | 2 - [(Z)-6,7-dihydro-5H-1-benzofuran-4-ylideneamino] 2,4-dichlorobenzoate
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