[(E)-[amino(pyridin-4-yl)methylidene]amino] (E)-3-phenylprop-2-enoate
Formula:C15H13N3O2
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
[(E)-[amino(pyridin-4-yl)methylidene]amino] (E)-3-phenylprop-2-enoate is a drug-like molecule.
| MolName | [(E)-[amino(pyridin-4-yl)methylidene]amino] (E)-3-phenylprop-2-enoate |
| MolecularFormula | C15H13N3O2 |
| Smiles | N/C(/c1ccncc1)=N/OC(/C=C/c1ccccc1)=O |
| InChI | InChI=1S/C15H13N3O2/c16-15(13-8-10-17-11-9-13)18-20-14(19)7-6-12-4-2-1-3-5-12/h1-11H,(H2,16,18) |
| InChIK | PYXKOKCZXJWKGU-UHFFFAOYSA-N |
| TotalMolweight | 267.287 |
| Molweight | 267.287 |
| MonoisotopicMass | 267.100777 |
| CLogP | 2.4004 |
| CLogS | -3.111 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 217.52 |
| Relative PSA | 0.27947 |
| PolarSurfaceArea | 77.57 |
| Druglikeness | -3.5096 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.7 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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