(E)-1-[3-[(2,4-dichlorophenyl)methoxy]phenyl]-3-hydroxyprop-2-en-1-one
Formula:C16H12O3Cl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-1-[3-[(2,4-dichlorophenyl)methoxy]phenyl]-3-hydroxyprop-2-en-1-one is a drug-like molecule.
| MolName | (E)-1-[3-[(2,4-dichlorophenyl)methoxy]phenyl]-3-hydroxyprop-2-en-1-one |
| MolecularFormula | C16H12O3Cl2 |
| Smiles | O/C=C/C(c1cccc(OCc(ccc(Cl)c2)c2Cl)c1)=O |
| InChI | InChI=1S/C16H12Cl2O3/c17-13-5-4-12(15(18)9-13)10-21-14-3-1-2-11(8-14)16(20)6-7-19/h1-9,19H,10H2 |
| InChIK | DAQRGWSMQMXBNX-UHFFFAOYSA-N |
| TotalMolweight | 323.174 |
| Molweight | 323.174 |
| MonoisotopicMass | 322.016349 |
| CLogP | 3.3722 |
| CLogS | -5.1 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 238.22 |
| Relative PSA | 0.15171 |
| PolarSurfaceArea | 46.53 |
| Druglikeness | -0.27575 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| StereoCon |
Click to Load Molecule:
1 - (E)-1-[3-[(2,4-dichlorophenyl)methoxy]phenyl]-3-hydroxyprop-2-en-1-one | 2 - (E)-1-[3-[(2,4-dichlorophenyl)methoxy]phenyl]-3-hydroxyprop-2-en-1-one
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off