[(E)-[amino(pyridin-3-yl)methylidene]amino] 2-phenylacetate
Formula:C14H13N3O2
Mutagenic:high
Tumorigenic:none
Reproductive Effective:low
[(E)-[amino(pyridin-3-yl)methylidene]amino] 2-phenylacetate is a drug-like molecule.
| MolName | [(E)-[amino(pyridin-3-yl)methylidene]amino] 2-phenylacetate |
| MolecularFormula | C14H13N3O2 |
| Smiles | N/C(/c1cnccc1)=N/OC(Cc1ccccc1)=O |
| InChI | InChI=1S/C14H13N3O2/c15-14(12-7-4-8-16-10-12)17-19-13(18)9-11-5-2-1-3-6-11/h1-8,10H,9H2,(H2,15,17) |
| InChIK | NMDVYVOBTOVMQO-UHFFFAOYSA-N |
| TotalMolweight | 255.276 |
| Molweight | 255.276 |
| MonoisotopicMass | 255.100777 |
| CLogP | 2.0693 |
| CLogS | -2.706 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 204.78 |
| Relative PSA | 0.29686 |
| PolarSurfaceArea | 77.57 |
| Druglikeness | -3.8283 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.68421 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - [(E)-[amino(pyridin-3-yl)methylidene]amino] 2-phenylacetate | 2 - [(E)-[amino(pyridin-3-yl)methylidene]amino] 2-phenylacetate
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