[(E)-[amino(pyridin-2-yl)methylidene]amino] 2-(4-phenylphenyl)acetate
Formula:C20H17N3O2
Mutagenic:high
Tumorigenic:none
Reproductive Effective:low
[(E)-[amino(pyridin-2-yl)methylidene]amino] 2-(4-phenylphenyl)acetate is a drug-like molecule.
| MolName | [(E)-[amino(pyridin-2-yl)methylidene]amino] 2-(4-phenylphenyl)acetate |
| MolecularFormula | C20H17N3O2 |
| Smiles | N/C(/c1ncccc1)=N/OC(Cc(cc1)ccc1-c1ccccc1)=O |
| InChI | InChI=1S/C20H17N3O2/c21-20(18-8-4-5-13-22-18)23-25-19(24)14-15-9-11-17(12-10-15)16-6-2-1-3-7-16/h1-13H,14H2,(H2,21,23) |
| InChIK | ZGBGMIHXFBCKFI-UHFFFAOYSA-N |
| TotalMolweight | 331.374 |
| Molweight | 331.374 |
| MonoisotopicMass | 331.132077 |
| CLogP | 3.7825 |
| CLogS | -4.816 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 264.54 |
| Relative PSA | 0.2298 |
| PolarSurfaceArea | 77.57 |
| Druglikeness | -3.8283 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.68 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - [(E)-[amino(pyridin-2-yl)methylidene]amino] 2-(4-phenylphenyl)acetate | 2 - [(E)-[amino(pyridin-2-yl)methylidene]amino] 2-(4-phenylphenyl)acetate
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