[(E)-[amino(2,3-dihydro-1-benzofuran-5-yl)methylidene]amino] benzoate
Formula:C16H14N2O3
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
[(E)-[amino(2,3-dihydro-1-benzofuran-5-yl)methylidene]amino] benzoate is a drug-like molecule.
| MolName | [(E)-[amino(2,3-dihydro-1-benzofuran-5-yl)methylidene]amino] benzoate |
| MolecularFormula | C16H14N2O3 |
| Smiles | N/C(/c(cc1)cc2c1OCC2)=N/OC(c1ccccc1)=O |
| InChI | InChI=1S/C16H14N2O3/c17-15(13-6-7-14-12(10-13)8-9-20-14)18-21-16(19)11-4-2-1-3-5-11/h1-7,10H,8-9H2,(H2,17,18) |
| InChIK | LIGNKJYJIXZPGV-UHFFFAOYSA-N |
| TotalMolweight | 282.298 |
| Molweight | 282.298 |
| MonoisotopicMass | 282.100443 |
| CLogP | 3.2979 |
| CLogS | -3.903 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 216.28 |
| Relative PSA | 0.27659 |
| PolarSurfaceArea | 73.91 |
| Druglikeness | -3.0903 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.61905 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| Symmetricatoms | 2 |
| StereoCon |
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