N-[(E)-[amino-(3-oxobenzo[f]chromen-2-yl)methylidene]amino]benzamide
Formula:C21H15N3O3
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N-[(E)-[amino-(3-oxobenzo[f]chromen-2-yl)methylidene]amino]benzamide is a drug-like molecule.
| MolName | N-[(E)-[amino-(3-oxobenzo[f]chromen-2-yl)methylidene]amino]benzamide |
| MolecularFormula | C21H15N3O3 |
| Smiles | N/C(/C1=Cc(c2ccccc2cc2)c2OC1=O)=N/NC(c1ccccc1)=O |
| InChI | InChI=1S/C21H15N3O3/c22-19(23-24-20(25)14-7-2-1-3-8-14)17-12-16-15-9-5-4-6-13(15)10-11-18(16)27-21(17)26/h1-12H,(H2,22,23)(H,24,25) |
| InChIK | WVLTXOPJTPCQGH-UHFFFAOYSA-N |
| TotalMolweight | 357.368 |
| Molweight | 357.368 |
| MonoisotopicMass | 357.111342 |
| CLogP | 3.0666 |
| CLogS | -5.432 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 267.28 |
| Relative PSA | 0.27806 |
| PolarSurfaceArea | 93.78 |
| Druglikeness | 3.8072 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | twice activated DB; acyl-hydrazone |
| Shape Index | 0.55556 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| StereoCon |
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