(E)-1-(5-chloro-2-hydroxyphenyl)-3-(2-phenyltriazol-4-yl)prop-2-en-1-one
Formula:C17H12N3O2Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
(E)-1-(5-chloro-2-hydroxyphenyl)-3-(2-phenyltriazol-4-yl)prop-2-en-1-one is a drug-like molecule.
| MolName | (E)-1-(5-chloro-2-hydroxyphenyl)-3-(2-phenyltriazol-4-yl)prop-2-en-1-one |
| MolecularFormula | C17H12N3O2Cl |
| Smiles | Oc(ccc(Cl)c1)c1C(/C=C/c1nn(-c2ccccc2)nc1)=O |
| InChI | InChI=1S/C17H12ClN3O2/c18-12-6-8-16(22)15(10-12)17(23)9-7-13-11-19-21(20-13)14-4-2-1-3-5-14/h1-11,22H |
| InChIK | RSWQHMHJRXRBRK-UHFFFAOYSA-N |
| TotalMolweight | 325.754 |
| Molweight | 325.754 |
| MonoisotopicMass | 325.061804 |
| CLogP | 2.855 |
| CLogS | -3.829 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 245.52 |
| Relative PSA | 0.22381 |
| PolarSurfaceArea | 68.01 |
| Druglikeness | 3.6745 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.6087 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 3 |
| StereoCon |
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