[(E)-[amino(phenyl)methylidene]amino] 2-(2-phenylethyl)benzoate
Formula:C22H20N2O2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
[(E)-[amino(phenyl)methylidene]amino] 2-(2-phenylethyl)benzoate is not a drug-like molecule.
| MolName | [(E)-[amino(phenyl)methylidene]amino] 2-(2-phenylethyl)benzoate |
| MolecularFormula | C22H20N2O2 |
| Smiles | N/C(/c1ccccc1)=N/OC(c1c(CCc2ccccc2)cccc1)=O |
| InChI | InChI=1S/C22H20N2O2/c23-21(19-12-5-2-6-13-19)24-26-22(25)20-14-8-7-11-18(20)16-15-17-9-3-1-4-10-17/h1-14H,15-16H2,(H2,23,24) |
| InChIK | FGCWCUGPUDYYGZ-UHFFFAOYSA-N |
| TotalMolweight | 344.413 |
| Molweight | 344.413 |
| MonoisotopicMass | 344.152478 |
| CLogP | 5.2735 |
| CLogS | -5.174 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 279.54 |
| Relative PSA | 0.17822 |
| PolarSurfaceArea | 64.68 |
| Druglikeness | -3.8629 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.61538 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| Symmetricatoms | 4 |
| StereoCon |
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1 - [(E)-[amino(phenyl)methylidene]amino] 2-(2-phenylethyl)benzoate | 2 - [(E)-[amino(phenyl)methylidene]amino] 2-(2-phenylethyl)benzoate
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