1,3-dibromo-2-[(4-chlorophenyl)methoxy]-5-[(E)-2-nitroethenyl]benzene
Formula:C15H10NO3Br2Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
1,3-dibromo-2-[(4-chlorophenyl)methoxy]-5-[(E)-2-nitroethenyl]benzene is a drug-like molecule.
| MolName | 1,3-dibromo-2-[(4-chlorophenyl)methoxy]-5-[(E)-2-nitroethenyl]benzene |
| MolecularFormula | C15H10NO3Br2Cl |
| Smiles | [O-][N+](/C=C/c(cc1Br)cc(Br)c1OCc(cc1)ccc1Cl)=O |
| InChI | InChI=1S/C15H10Br2ClNO3/c16-13-7-11(5-6-19(20)21)8-14(17)15(13)22-9-10-1-3-12(18)4-2-10/h1-8H,9H2 |
| InChIK | GOTFPMRGWHUTBU-UHFFFAOYSA-N |
| TotalMolweight | 447.509 |
| Molweight | 447.509 |
| MonoisotopicMass | 444.871593 |
| CLogP | 4.1743 |
| CLogS | -6.371 |
| H Acceptors | 4 |
| TotalSurfaceArea | 259.63 |
| Relative PSA | 0.15568 |
| PolarSurfaceArea | 55.05 |
| Druglikeness | -8.7526 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.68182 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 5 |
| AcidicOxygens | 1 |
| StereoCon |
Click to Load Molecule:
1 - 1,3-dibromo-2-[(4-chlorophenyl)methoxy]-5-[(E)-2-nitroethenyl]benzene | 2 - 1,3-dibromo-2-[(4-chlorophenyl)methoxy]-5-[(E)-2-nitroethenyl]benzene
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off