[(E)-[amino(phenyl)methylidene]amino] 2-(4-phenylphenyl)acetate
Formula:C21H18N2O2
Mutagenic:high
Tumorigenic:none
Reproductive Effective:low
[(E)-[amino(phenyl)methylidene]amino] 2-(4-phenylphenyl)acetate is a drug-like molecule.
| MolName | [(E)-[amino(phenyl)methylidene]amino] 2-(4-phenylphenyl)acetate |
| MolecularFormula | C21H18N2O2 |
| Smiles | N/C(/c1ccccc1)=N/OC(Cc(cc1)ccc1-c1ccccc1)=O |
| InChI | InChI=1S/C21H18N2O2/c22-21(19-9-5-2-6-10-19)23-25-20(24)15-16-11-13-18(14-12-16)17-7-3-1-4-8-17/h1-14H,15H2,(H2,22,23) |
| InChIK | NBUFTXJVYZIVNJ-UHFFFAOYSA-N |
| TotalMolweight | 330.386 |
| Molweight | 330.386 |
| MonoisotopicMass | 330.136828 |
| CLogP | 4.7294 |
| CLogS | -5.587 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 265.78 |
| Relative PSA | 0.18745 |
| PolarSurfaceArea | 64.68 |
| Druglikeness | -3.8283 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.68 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Symmetricatoms | 6 |
| StereoCon |
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