[(E)-3,4-dihydro-2H-naphthalen-1-ylideneamino] 3,4-dichlorobenzoate
Formula:C17H13NO2Cl2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
[(E)-3,4-dihydro-2H-naphthalen-1-ylideneamino] 3,4-dichlorobenzoate is not a drug-like molecule.
| MolName | [(E)-3,4-dihydro-2H-naphthalen-1-ylideneamino] 3,4-dichlorobenzoate |
| MolecularFormula | C17H13NO2Cl2 |
| Smiles | O=C(c(cc1)cc(Cl)c1Cl)O/N=C(\CCC1)/c2c1cccc2 |
| InChI | InChI=1S/C17H13Cl2NO2/c18-14-9-8-12(10-15(14)19)17(21)22-20-16-7-3-5-11-4-1-2-6-13(11)16/h1-2,4,6,8-10H,3,5,7H2 |
| InChIK | QNHWOHNETIBWSW-UHFFFAOYSA-N |
| TotalMolweight | 334.201 |
| Molweight | 334.201 |
| MonoisotopicMass | 333.032333 |
| CLogP | 5.8028 |
| CLogS | -6.192 |
| H Acceptors | 3 |
| TotalSurfaceArea | 242.36 |
| Relative PSA | 0.14256 |
| PolarSurfaceArea | 38.66 |
| Druglikeness | -5.2257 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.59091 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| StereoCon |
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