[(Z)-(4-bromophenyl)methylideneamino] 2,4-dichlorobenzoate
Formula:C14H8NO2BrCl2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
[(Z)-(4-bromophenyl)methylideneamino] 2,4-dichlorobenzoate is not a drug-like molecule.
| MolName | [(Z)-(4-bromophenyl)methylideneamino] 2,4-dichlorobenzoate |
| MolecularFormula | C14H8NO2BrCl2 |
| Smiles | O=C(c(ccc(Cl)c1)c1Cl)O/N=C\c(cc1)ccc1Br |
| InChI | InChI=1S/C14H8BrCl2NO2/c15-10-3-1-9(2-4-10)8-18-20-14(19)12-6-5-11(16)7-13(12)17/h1-8H |
| InChIK | MWSZCECYTKNVLH-UHFFFAOYSA-N |
| TotalMolweight | 373.033 |
| Molweight | 373.033 |
| MonoisotopicMass | 370.911544 |
| CLogP | 5.8553 |
| CLogS | -6.077 |
| H Acceptors | 3 |
| TotalSurfaceArea | 235 |
| Relative PSA | 0.14702 |
| PolarSurfaceArea | 38.66 |
| Druglikeness | -5.0775 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | low |
| Nasty Functions | |
| Shape Index | 0.7 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| StereoCon |
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