[(E)-[amino-(4-chlorophenyl)methylidene]amino] 2-phenylbenzoate
Formula:C20H15N2O2Cl
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
[(E)-[amino-(4-chlorophenyl)methylidene]amino] 2-phenylbenzoate is not a drug-like molecule.
| MolName | [(E)-[amino-(4-chlorophenyl)methylidene]amino] 2-phenylbenzoate |
| MolecularFormula | C20H15N2O2Cl |
| Smiles | N/C(/c(cc1)ccc1Cl)=N/OC(c(cccc1)c1-c1ccccc1)=O |
| InChI | InChI=1S/C20H15ClN2O2/c21-16-12-10-15(11-13-16)19(22)23-25-20(24)18-9-5-4-8-17(18)14-6-2-1-3-7-14/h1-13H,(H2,22,23) |
| InChIK | YETNLZLNPMUCND-UHFFFAOYSA-N |
| TotalMolweight | 350.804 |
| Molweight | 350.804 |
| MonoisotopicMass | 350.082205 |
| CLogP | 5.3373 |
| CLogS | -6.358 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 267.44 |
| Relative PSA | 0.18628 |
| PolarSurfaceArea | 64.68 |
| Druglikeness | -2.6601 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| StereoCon |
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