2-cyano-N'-[1-(7-hydroxy-2-oxochromen-3-yl)ethenyl]acetohydrazide
Formula:C14H11N3O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-cyano-N'-[1-(7-hydroxy-2-oxochromen-3-yl)ethenyl]acetohydrazide is a drug-like molecule.
| MolName | 2-cyano-N'-[1-(7-hydroxy-2-oxochromen-3-yl)ethenyl]acetohydrazide |
| MolecularFormula | C14H11N3O4 |
| Smiles | C=C(C1=Cc(ccc(O)c2)c2OC1=O)NNC(CC#N)=O |
| InChI | InChI=1S/C14H11N3O4/c1-8(16-17-13(19)4-5-15)11-6-9-2-3-10(18)7-12(9)21-14(11)20/h2-3,6-7,16,18H,1,4H2,(H,17,19) |
| InChIK | GCJPDDYYORBYMG-UHFFFAOYSA-N |
| TotalMolweight | 285.258 |
| Molweight | 285.258 |
| MonoisotopicMass | 285.074957 |
| CLogP | 0.4232 |
| CLogS | -3.267 |
| H Acceptors | 7 |
| H Donors | 3 |
| TotalSurfaceArea | 217.46 |
| Relative PSA | 0.39391 |
| PolarSurfaceArea | 111.45 |
| Druglikeness | -7.156 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 4 |
| StereoCon |
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