N-[(E)-[amino-(2-oxochromen-3-yl)methylidene]amino]benzamide
Formula:C17H13N3O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
N-[(E)-[amino-(2-oxochromen-3-yl)methylidene]amino]benzamide is a drug-like molecule.
| MolName | N-[(E)-[amino-(2-oxochromen-3-yl)methylidene]amino]benzamide |
| MolecularFormula | C17H13N3O3 |
| Smiles | N/C(/C1=Cc(cccc2)c2OC1=O)=N/NC(c1ccccc1)=O |
| InChI | InChI=1S/C17H13N3O3/c18-15(19-20-16(21)11-6-2-1-3-7-11)13-10-12-8-4-5-9-14(12)23-17(13)22/h1-10H,(H2,18,19)(H,20,21) |
| InChIK | GYMNJLWVUOXJCB-UHFFFAOYSA-N |
| TotalMolweight | 307.308 |
| Molweight | 307.308 |
| MonoisotopicMass | 307.095692 |
| CLogP | 1.8722 |
| CLogS | -3.826 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 232.68 |
| Relative PSA | 0.31941 |
| PolarSurfaceArea | 93.78 |
| Druglikeness | 3.8072 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | twice activated DB; acyl-hydrazone |
| Shape Index | 0.6087 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| StereoCon |
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1 - N-[(E)-[amino-(2-oxochromen-3-yl)methylidene]amino]benzamide | 2 - N-[(E)-[amino-(2-oxochromen-3-yl)methylidene]amino]benzamide
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