1,4-dichloro-2-[(E)-3-(4-nitrophenoxy)prop-1-enyl]benzene
Formula:C15H11NO3Cl2
Mutagenic:none
Tumorigenic:high
Reproductive Effective:high
1,4-dichloro-2-[(E)-3-(4-nitrophenoxy)prop-1-enyl]benzene is a drug-like molecule.
| MolName | 1,4-dichloro-2-[(E)-3-(4-nitrophenoxy)prop-1-enyl]benzene |
| MolecularFormula | C15H11NO3Cl2 |
| Smiles | [O-][N+](c(cc1)ccc1OC/C=C/c(cc(cc1)Cl)c1Cl)=O |
| InChI | InChI=1S/C15H11Cl2NO3/c16-12-3-8-15(17)11(10-12)2-1-9-21-14-6-4-13(5-7-14)18(19)20/h1-8,10H,9H2 |
| InChIK | VOOIPAZCSDGZBD-UHFFFAOYSA-N |
| TotalMolweight | 324.162 |
| Molweight | 324.162 |
| MonoisotopicMass | 323.011598 |
| CLogP | 4.0593 |
| CLogS | -5.406 |
| H Acceptors | 4 |
| TotalSurfaceArea | 237.79 |
| Relative PSA | 0.16998 |
| PolarSurfaceArea | 55.05 |
| Druglikeness | -6.8348 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| AcidicOxygens | 1 |
| StereoCon |
Click to Load Molecule:
1 - 1,4-dichloro-2-[(E)-3-(4-nitrophenoxy)prop-1-enyl]benzene | 2 - 1,4-dichloro-2-[(E)-3-(4-nitrophenoxy)prop-1-enyl]benzene
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off