1,3-dibromo-2-[(3-fluorophenyl)methoxy]-5-[(E)-2-nitroethenyl]benzene
Formula:C15H10NO3Br2F
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
1,3-dibromo-2-[(3-fluorophenyl)methoxy]-5-[(E)-2-nitroethenyl]benzene is a drug-like molecule.
| MolName | 1,3-dibromo-2-[(3-fluorophenyl)methoxy]-5-[(E)-2-nitroethenyl]benzene |
| MolecularFormula | C15H10NO3Br2F |
| Smiles | [O-][N+](/C=C/c(cc1Br)cc(Br)c1OCc1cc(F)ccc1)=O |
| InChI | InChI=1S/C15H10Br2FNO3/c16-13-7-10(4-5-19(20)21)8-14(17)15(13)22-9-11-2-1-3-12(18)6-11/h1-8H,9H2 |
| InChIK | HFFCDRSYGJQDGC-UHFFFAOYSA-N |
| TotalMolweight | 431.054 |
| Molweight | 431.054 |
| MonoisotopicMass | 428.901144 |
| CLogP | 3.6691 |
| CLogS | -5.949 |
| H Acceptors | 4 |
| TotalSurfaceArea | 250.56 |
| Relative PSA | 0.16132 |
| PolarSurfaceArea | 55.05 |
| Druglikeness | -10.272 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.63636 |
| 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 | 3 |
| AcidicOxygens | 1 |
| StereoCon |
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