(4E)-4-(furan-3-ylmethylidene)-2-phenylpyrazol-3-one
Formula:C14H10N2O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(4E)-4-(furan-3-ylmethylidene)-2-phenylpyrazol-3-one is a drug-like molecule.
| MolName | (4E)-4-(furan-3-ylmethylidene)-2-phenylpyrazol-3-one |
| MolecularFormula | C14H10N2O2 |
| Smiles | O=C1N(c2ccccc2)N=C/C1=C\c1cocc1 |
| InChI | InChI=1S/C14H10N2O2/c17-14-12(8-11-6-7-18-10-11)9-15-16(14)13-4-2-1-3-5-13/h1-10H |
| InChIK | MOIABEHKTAKQKF-UHFFFAOYSA-N |
| TotalMolweight | 238.245 |
| Molweight | 238.245 |
| MonoisotopicMass | 238.074228 |
| CLogP | 2.4397 |
| CLogS | -2.881 |
| H Acceptors | 4 |
| TotalSurfaceArea | 186.73 |
| Relative PSA | 0.22605 |
| PolarSurfaceArea | 45.81 |
| Druglikeness | 4.3684 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | twice activated DB |
| Shape Index | 0.61111 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Symmetricatoms | 2 |
| StereoCon |
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