[(E)-[amino(pyridin-3-yl)methylidene]amino] 3-phenylpropanoate
Formula:C15H15N3O2
Mutagenic:high
Tumorigenic:none
Reproductive Effective:low
[(E)-[amino(pyridin-3-yl)methylidene]amino] 3-phenylpropanoate is a drug-like molecule.
| MolName | [(E)-[amino(pyridin-3-yl)methylidene]amino] 3-phenylpropanoate |
| MolecularFormula | C15H15N3O2 |
| Smiles | N/C(/c1cnccc1)=N/OC(CCc1ccccc1)=O |
| InChI | InChI=1S/C15H15N3O2/c16-15(13-7-4-10-17-11-13)18-20-14(19)9-8-12-5-2-1-3-6-12/h1-7,10-11H,8-9H2,(H2,16,18) |
| InChIK | ZEGMGFAQFOIQFM-UHFFFAOYSA-N |
| TotalMolweight | 269.303 |
| Molweight | 269.303 |
| MonoisotopicMass | 269.116427 |
| CLogP | 2.5237 |
| CLogS | -2.976 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 218.54 |
| Relative PSA | 0.27816 |
| PolarSurfaceArea | 77.57 |
| Druglikeness | -6.0134 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.7 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 6 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - [(E)-[amino(pyridin-3-yl)methylidene]amino] 3-phenylpropanoate | 2 - [(E)-[amino(pyridin-3-yl)methylidene]amino] 3-phenylpropanoate
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