[(E)-[amino(phenyl)methylidene]amino] 3,3-diphenylpropanoate
Formula:C22H20N2O2
Mutagenic:high
Tumorigenic:none
Reproductive Effective:low
[(E)-[amino(phenyl)methylidene]amino] 3,3-diphenylpropanoate is not a drug-like molecule.
| MolName | [(E)-[amino(phenyl)methylidene]amino] 3,3-diphenylpropanoate |
| MolecularFormula | C22H20N2O2 |
| Smiles | N/C(/c1ccccc1)=N/OC(CC(c1ccccc1)c1ccccc1)=O |
| InChI | InChI=1S/C22H20N2O2/c23-22(19-14-8-3-9-15-19)24-26-21(25)16-20(17-10-4-1-5-11-17)18-12-6-2-7-13-18/h1-15,20H,16H2,(H2,23,24) |
| InChIK | RTANNFRIUGTUHI-UHFFFAOYSA-N |
| TotalMolweight | 344.413 |
| Molweight | 344.413 |
| MonoisotopicMass | 344.152478 |
| CLogP | 5.0522 |
| CLogS | -4.92 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 278.28 |
| Relative PSA | 0.17903 |
| PolarSurfaceArea | 64.68 |
| Druglikeness | -3.3215 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.53846 |
| 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 | 10 |
| StereoCon |
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