(E)-3-[2-[(2-chloroquinolin-3-yl)methoxy]phenyl]-1-phenylprop-2-en-1-one
Formula:C25H18NO2Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-3-[2-[(2-chloroquinolin-3-yl)methoxy]phenyl]-1-phenylprop-2-en-1-one is not a drug-like molecule.
| MolName | (E)-3-[2-[(2-chloroquinolin-3-yl)methoxy]phenyl]-1-phenylprop-2-en-1-one |
| MolecularFormula | C25H18NO2Cl |
| Smiles | O=C(/C=C/c(cccc1)c1OCc1cc2ccccc2nc1Cl)c1ccccc1 |
| InChI | InChI=1S/C25H18ClNO2/c26-25-21(16-20-11-4-6-12-22(20)27-25)17-29-24-13-7-5-10-19(24)14-15-23(28)18-8-2-1-3-9-18/h1-16H,17H2 |
| InChIK | LUNLPSGDPCWGTC-UHFFFAOYSA-N |
| TotalMolweight | 399.876 |
| Molweight | 399.876 |
| MonoisotopicMass | 399.102606 |
| CLogP | 5.6713 |
| CLogS | -6.386 |
| H Acceptors | 3 |
| TotalSurfaceArea | 309.57 |
| Relative PSA | 0.10986 |
| PolarSurfaceArea | 39.19 |
| Druglikeness | 0.14658 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.58621 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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