[(E)-[amino-(2-chlorophenyl)methylidene]amino] 2,2-diphenylacetate
Formula:C21H17N2O2Cl
Mutagenic:high
Tumorigenic:none
Reproductive Effective:low
[(E)-[amino-(2-chlorophenyl)methylidene]amino] 2,2-diphenylacetate is not a drug-like molecule.
| MolName | [(E)-[amino-(2-chlorophenyl)methylidene]amino] 2,2-diphenylacetate |
| MolecularFormula | C21H17N2O2Cl |
| Smiles | N/C(/c(cccc1)c1Cl)=N/OC(C(c1ccccc1)c1ccccc1)=O |
| InChI | InChI=1S/C21H17ClN2O2/c22-18-14-8-7-13-17(18)20(23)24-26-21(25)19(15-9-3-1-4-10-15)16-11-5-2-6-12-16/h1-14,19H,(H2,23,24) |
| InChIK | VVZNUXPOHXAAIL-UHFFFAOYSA-N |
| TotalMolweight | 364.831 |
| Molweight | 364.831 |
| MonoisotopicMass | 364.097855 |
| CLogP | 5.2038 |
| CLogS | -5.386 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 279.94 |
| Relative PSA | 0.17797 |
| PolarSurfaceArea | 64.68 |
| Druglikeness | -2.0732 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Symmetricatoms | 8 |
| StereoCon |
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1 - [(E)-[amino-(2-chlorophenyl)methylidene]amino] 2,2-diphenylacetate | 2 - [(E)-[amino-(2-chlorophenyl)methylidene]amino] 2,2-diphenylacetate
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