[(E)-[amino(pyridin-2-yl)methylidene]amino] (E)-3-(4-bromophenyl)prop-2-enoate
Formula:C15H12N3O2Br
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
[(E)-[amino(pyridin-2-yl)methylidene]amino] (E)-3-(4-bromophenyl)prop-2-enoate is a drug-like molecule.
| MolName | [(E)-[amino(pyridin-2-yl)methylidene]amino] (E)-3-(4-bromophenyl)prop-2-enoate |
| MolecularFormula | C15H12N3O2Br |
| Smiles | N/C(/c1ncccc1)=N/OC(/C=C/c(cc1)ccc1Br)=O |
| InChI | InChI=1S/C15H12BrN3O2/c16-12-7-4-11(5-8-12)6-9-14(20)21-19-15(17)13-3-1-2-10-18-13/h1-10H,(H2,17,19) |
| InChIK | DOVLTFQWAQYCBL-UHFFFAOYSA-N |
| TotalMolweight | 346.183 |
| Molweight | 346.183 |
| MonoisotopicMass | 345.011288 |
| CLogP | 3.1796 |
| CLogS | -3.969 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 236.15 |
| Relative PSA | 0.25742 |
| PolarSurfaceArea | 77.57 |
| Druglikeness | -5.2996 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.71429 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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