[(E)-3,4,6,7,8,9-hexahydro-2H-dibenzofuran-1-ylideneamino] 3,4-dichlorobenzoate
Formula:C19H17NO3Cl2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
[(E)-3,4,6,7,8,9-hexahydro-2H-dibenzofuran-1-ylideneamino] 3,4-dichlorobenzoate is not a drug-like molecule.
| MolName | [(E)-3,4,6,7,8,9-hexahydro-2H-dibenzofuran-1-ylideneamino] 3,4-dichlorobenzoate |
| MolecularFormula | C19H17NO3Cl2 |
| Smiles | O=C(c(cc1)cc(Cl)c1Cl)O/N=C(\CCC1)/c2c1oc1c2CCCC1 |
| InChI | InChI=1S/C19H17Cl2NO3/c20-13-9-8-11(10-14(13)21)19(23)25-22-15-5-3-7-17-18(15)12-4-1-2-6-16(12)24-17/h8-10H,1-7H2 |
| InChIK | FQGVRTZUAVLVJK-UHFFFAOYSA-N |
| TotalMolweight | 378.254 |
| Molweight | 378.254 |
| MonoisotopicMass | 377.058548 |
| CLogP | 6.2023 |
| CLogS | -6.99 |
| H Acceptors | 4 |
| TotalSurfaceArea | 273.59 |
| Relative PSA | 0.17786 |
| PolarSurfaceArea | 51.8 |
| Druglikeness | -6.9303 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.56 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 8 |
| StereoCon |
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1 - [(E)-3,4,6,7,8,9-hexahydro-2H-dibenzofuran-1-ylideneamino] 3,4-dichlorobenzoate | 2 - [(E)-3,4,6,7,8,9-hexahydro-2H-dibenzofuran-1-ylideneamino] 3,4-dichlorobenzoate
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