(Z)-3-(benzylamino)-4,4-difluoro-1-(2-hydroxyphenyl)but-2-en-1-one
Formula:C17H15NO2F2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(Z)-3-(benzylamino)-4,4-difluoro-1-(2-hydroxyphenyl)but-2-en-1-one is a drug-like molecule.
| MolName | (Z)-3-(benzylamino)-4,4-difluoro-1-(2-hydroxyphenyl)but-2-en-1-one |
| MolecularFormula | C17H15NO2F2 |
| Smiles | Oc(cccc1)c1C(/C=C(/C(F)F)\NCc1ccccc1)=O |
| InChI | InChI=1S/C17H15F2NO2/c18-17(19)14(20-11-12-6-2-1-3-7-12)10-16(22)13-8-4-5-9-15(13)21/h1-10,17,20-21H,11H2 |
| InChIK | YOPHJVJCLFVNHP-UHFFFAOYSA-N |
| TotalMolweight | 303.307 |
| Molweight | 303.307 |
| MonoisotopicMass | 303.107085 |
| CLogP | 2.8146 |
| CLogS | -4.033 |
| H Acceptors | 3 |
| H Donors | 2 |
| TotalSurfaceArea | 232.25 |
| Relative PSA | 0.16189 |
| PolarSurfaceArea | 49.33 |
| Druglikeness | -1.0699 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.59091 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 6 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 3 |
| StereoCon |
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