[(E)-[amino-(2-chlorophenyl)methylidene]amino] 3,4-dichlorobenzoate
Formula:C14H9N2O2Cl3
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
[(E)-[amino-(2-chlorophenyl)methylidene]amino] 3,4-dichlorobenzoate is a drug-like molecule.
| MolName | [(E)-[amino-(2-chlorophenyl)methylidene]amino] 3,4-dichlorobenzoate |
| MolecularFormula | C14H9N2O2Cl3 |
| Smiles | N/C(/c(cccc1)c1Cl)=N/OC(c(cc1)cc(Cl)c1Cl)=O |
| InChI | InChI=1S/C14H9Cl3N2O2/c15-10-4-2-1-3-9(10)13(18)19-21-14(20)8-5-6-11(16)12(17)7-8/h1-7H,(H2,18,19) |
| InChIK | IZJRQUNWRKBXKF-UHFFFAOYSA-N |
| TotalMolweight | 343.596 |
| Molweight | 343.596 |
| MonoisotopicMass | 341.972959 |
| CLogP | 4.8901 |
| CLogS | -5.744 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 238.52 |
| Relative PSA | 0.20887 |
| PolarSurfaceArea | 64.68 |
| Druglikeness | -2.6601 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.61905 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| StereoCon |
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1 - [(E)-[amino-(2-chlorophenyl)methylidene]amino] 3,4-dichlorobenzoate | 2 - [(E)-[amino-(2-chlorophenyl)methylidene]amino] 3,4-dichlorobenzoate
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