[(E)-[amino(pyridin-2-yl)methylidene]amino] 3,3-diphenylpropanoate
Formula:C21H19N3O2
Mutagenic:high
Tumorigenic:none
Reproductive Effective:low
[(E)-[amino(pyridin-2-yl)methylidene]amino] 3,3-diphenylpropanoate is a drug-like molecule.
| MolName | [(E)-[amino(pyridin-2-yl)methylidene]amino] 3,3-diphenylpropanoate |
| MolecularFormula | C21H19N3O2 |
| Smiles | N/C(/c1ncccc1)=N/OC(CC(c1ccccc1)c1ccccc1)=O |
| InChI | InChI=1S/C21H19N3O2/c22-21(19-13-7-8-14-23-19)24-26-20(25)15-18(16-9-3-1-4-10-16)17-11-5-2-6-12-17/h1-14,18H,15H2,(H2,22,24) |
| InChIK | NIZYYNJKBAVNEG-UHFFFAOYSA-N |
| TotalMolweight | 345.401 |
| Molweight | 345.401 |
| MonoisotopicMass | 345.147727 |
| CLogP | 4.1053 |
| CLogS | -4.149 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 277.04 |
| Relative PSA | 0.21943 |
| PolarSurfaceArea | 77.57 |
| Druglikeness | -3.3215 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.53846 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| Symmetricatoms | 8 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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