(Z)-3-(3-hydroxyanilino)-1,3-diphenylprop-2-en-1-one
Formula:C21H17NO2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(Z)-3-(3-hydroxyanilino)-1,3-diphenylprop-2-en-1-one is a drug-like molecule.
| MolName | (Z)-3-(3-hydroxyanilino)-1,3-diphenylprop-2-en-1-one |
| MolecularFormula | C21H17NO2 |
| Smiles | Oc1cccc(N/C(/c2ccccc2)=C\C(c2ccccc2)=O)c1 |
| InChI | InChI=1S/C21H17NO2/c23-19-13-7-12-18(14-19)22-20(16-8-3-1-4-9-16)15-21(24)17-10-5-2-6-11-17/h1-15,22-23H |
| InChIK | HDZOCYOMOMWENW-UHFFFAOYSA-N |
| TotalMolweight | 315.371 |
| Molweight | 315.371 |
| MonoisotopicMass | 315.125929 |
| CLogP | 3.9154 |
| CLogS | -4.576 |
| H Acceptors | 3 |
| H Donors | 2 |
| TotalSurfaceArea | 253.05 |
| Relative PSA | 0.14859 |
| PolarSurfaceArea | 49.33 |
| Druglikeness | 1.5093 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| StereoCon |
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