1,3-dichloro-2-[(2-fluorophenyl)methoxy]-5-[(E)-2-nitroethenyl]benzene
Formula:C15H10NO3Cl2F
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
1,3-dichloro-2-[(2-fluorophenyl)methoxy]-5-[(E)-2-nitroethenyl]benzene is a drug-like molecule.
| MolName | 1,3-dichloro-2-[(2-fluorophenyl)methoxy]-5-[(E)-2-nitroethenyl]benzene |
| MolecularFormula | C15H10NO3Cl2F |
| Smiles | [O-][N+](/C=C/c(cc1Cl)cc(Cl)c1OCc(cccc1)c1F)=O |
| InChI | InChI=1S/C15H10Cl2FNO3/c16-12-7-10(5-6-19(20)21)8-13(17)15(12)22-9-11-3-1-2-4-14(11)18/h1-8H,9H2 |
| InChIK | XPKCGHYUVIVRNI-UHFFFAOYSA-N |
| TotalMolweight | 342.152 |
| Molweight | 342.152 |
| MonoisotopicMass | 341.002176 |
| CLogP | 3.4307 |
| CLogS | -5.753 |
| H Acceptors | 4 |
| TotalSurfaceArea | 244.14 |
| Relative PSA | 0.16556 |
| PolarSurfaceArea | 55.05 |
| Druglikeness | -8.3026 |
| 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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