N-[(E)-[amino-(2-oxochromen-3-yl)methylidene]amino]-3-fluorobenzamide
Formula:C17H12N3O3F
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
N-[(E)-[amino-(2-oxochromen-3-yl)methylidene]amino]-3-fluorobenzamide is a drug-like molecule.
| MolName | N-[(E)-[amino-(2-oxochromen-3-yl)methylidene]amino]-3-fluorobenzamide |
| MolecularFormula | C17H12N3O3F |
| Smiles | N/C(/C1=Cc(cccc2)c2OC1=O)=N/NC(c1cccc(F)c1)=O |
| InChI | InChI=1S/C17H12FN3O3/c18-12-6-3-5-11(8-12)16(22)21-20-15(19)13-9-10-4-1-2-7-14(10)24-17(13)23/h1-9H,(H2,19,20)(H,21,22) |
| InChIK | QVCGONQNRNSBTG-UHFFFAOYSA-N |
| TotalMolweight | 325.298 |
| Molweight | 325.298 |
| MonoisotopicMass | 325.08627 |
| CLogP | 1.973 |
| CLogS | -4.14 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 239.03 |
| Relative PSA | 0.31092 |
| PolarSurfaceArea | 93.78 |
| Druglikeness | 2.4672 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | twice activated DB; acyl-hydrazone |
| Shape Index | 0.58333 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| StereoCon |
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1 - N-[(E)-[amino-(2-oxochromen-3-yl)methylidene]amino]-3-fluorobenzamide | 2 - N-[(E)-[amino-(2-oxochromen-3-yl)methylidene]amino]-3-fluorobenzamide
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