5-[2-(4-chlorophenyl)hydrazinyl]-2,2-dimethyl-3H-pyran-4-one
Formula:C13H15N2O2Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
5-[2-(4-chlorophenyl)hydrazinyl]-2,2-dimethyl-3H-pyran-4-one is a drug-like molecule.
| MolName | 5-[2-(4-chlorophenyl)hydrazinyl]-2,2-dimethyl-3H-pyran-4-one |
| MolecularFormula | C13H15N2O2Cl |
| Smiles | CC(C)(CC1=O)OC=C1NNc(cc1)ccc1Cl |
| InChI | InChI=1S/C13H15ClN2O2/c1-13(2)7-12(17)11(8-18-13)16-15-10-5-3-9(14)4-6-10/h3-6,8,15-16H,7H2,1-2H3 |
| InChIK | GAEYCJXYVSIKPI-UHFFFAOYSA-N |
| TotalMolweight | 266.727 |
| Molweight | 266.727 |
| MonoisotopicMass | 266.082205 |
| CLogP | 2.7532 |
| CLogS | -3.4 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 199.25 |
| Relative PSA | 0.23066 |
| PolarSurfaceArea | 50.36 |
| Druglikeness | -0.082689 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 6 |
| Symmetricatoms | 3 |
| StereoCon |
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