4-chloro-3-[(Z)-[(3-chlorophenyl)hydrazinylidene]methyl]chromen-2-one
Formula:C16H10N2O2Cl2
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
4-chloro-3-[(Z)-[(3-chlorophenyl)hydrazinylidene]methyl]chromen-2-one is not a drug-like molecule.
| MolName | 4-chloro-3-[(Z)-[(3-chlorophenyl)hydrazinylidene]methyl]chromen-2-one |
| MolecularFormula | C16H10N2O2Cl2 |
| Smiles | O=C1Oc(cccc2)c2C(Cl)=C1/C=N\Nc1cc(Cl)ccc1 |
| InChI | InChI=1S/C16H10Cl2N2O2/c17-10-4-3-5-11(8-10)20-19-9-13-15(18)12-6-1-2-7-14(12)22-16(13)21/h1-9,20H |
| InChIK | FSRHIQMMUKGSBE-UHFFFAOYSA-N |
| TotalMolweight | 333.173 |
| Molweight | 333.173 |
| MonoisotopicMass | 332.011932 |
| CLogP | 5.2597 |
| CLogS | -3.296 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 237.25 |
| Relative PSA | 0.19393 |
| PolarSurfaceArea | 50.69 |
| Druglikeness | 2.6632 |
| 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 | 0.59091 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| StereoCon |
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