| MolName | [(Z)-[1-amino-2-(4-chlorophenyl)ethylidene]amino] 2,2-diphenylacetate |
| MolecularFormula | C22H19N2O2Cl |
| Smiles | N/C(/Cc(cc1)ccc1Cl)=N\OC(C(c1ccccc1)c1ccccc1)=O |
| InChI | InChI=1S/C22H19ClN2O2/c23-19-13-11-16(12-14-19)15-20(24)25-27-22(26)21(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-14,21H,15H2,(H2,24,25) |
| InChIK | ADLOPRMTODPDPF-UHFFFAOYSA-N |
| TotalMolweight | 378.858 |
| Molweight | 378.858 |
| MonoisotopicMass | 378.113505 |
| CLogP | 5.2019 |
| CLogS | -5.351 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 293.7 |
| Relative PSA | 0.16963 |
| PolarSurfaceArea | 64.68 |
| Druglikeness | -2.1431 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.55556 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| Symmetricatoms | 10 |
| StereoCon |
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1 - [(Z)-[1-amino-2-(4-chlorophenyl)ethylidene]amino] 2,2-diphenylacetate | 2 - [(Z)-[1-amino-2-(4-chlorophenyl)ethylidene]amino] 2,2-diphenylacetate