4-chloro-3-[(Z)-[(2,4-difluorophenyl)hydrazinylidene]methyl]chromen-2-one
Formula:C16H9N2O2ClF2
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
4-chloro-3-[(Z)-[(2,4-difluorophenyl)hydrazinylidene]methyl]chromen-2-one is a drug-like molecule.
| MolName | 4-chloro-3-[(Z)-[(2,4-difluorophenyl)hydrazinylidene]methyl]chromen-2-one |
| MolecularFormula | C16H9N2O2ClF2 |
| Smiles | O=C1Oc(cccc2)c2C(Cl)=C1/C=N\Nc(ccc(F)c1)c1F |
| InChI | InChI=1S/C16H9ClF2N2O2/c17-15-10-3-1-2-4-14(10)23-16(22)11(15)8-20-21-13-6-5-9(18)7-12(13)19/h1-8,21H |
| InChIK | HLFCVSHGVOENJK-UHFFFAOYSA-N |
| TotalMolweight | 334.708 |
| Molweight | 334.708 |
| MonoisotopicMass | 334.032061 |
| CLogP | 4.8553 |
| CLogS | -3.188 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 234.53 |
| Relative PSA | 0.19618 |
| PolarSurfaceArea | 50.69 |
| Druglikeness | 1.3232 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | twice activated DB; allyl/benzyl chloride; imine/hydrazone of aldehyde; 3-halo-enone |
| Shape Index | 0.6087 |
| Fragments | 1 |
| Non HAtoms | 23 |
| 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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