(E)-1-(3-chloro-2-hydroxyphenyl)-3-pyridin-2-ylprop-2-en-1-one
Formula:C14H10NO2Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-1-(3-chloro-2-hydroxyphenyl)-3-pyridin-2-ylprop-2-en-1-one is a drug-like molecule.
| MolName | (E)-1-(3-chloro-2-hydroxyphenyl)-3-pyridin-2-ylprop-2-en-1-one |
| MolecularFormula | C14H10NO2Cl |
| Smiles | Oc(c(C(/C=C/c1ncccc1)=O)ccc1)c1Cl |
| InChI | InChI=1S/C14H10ClNO2/c15-12-6-3-5-11(14(12)18)13(17)8-7-10-4-1-2-9-16-10/h1-9,18H |
| InChIK | KJPBVCHLOKEQHE-UHFFFAOYSA-N |
| TotalMolweight | 259.691 |
| Molweight | 259.691 |
| MonoisotopicMass | 259.040006 |
| CLogP | 2.6172 |
| CLogS | -3.509 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 197.8 |
| Relative PSA | 0.18761 |
| PolarSurfaceArea | 50.19 |
| Druglikeness | 0.395 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.61111 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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