4-[(Z)-2-(4-bromophenyl)-1-(4-nitrophenyl)ethenyl]pyridine
Formula:C19H13N2O2Br
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
4-[(Z)-2-(4-bromophenyl)-1-(4-nitrophenyl)ethenyl]pyridine is a drug-like molecule.
| MolName | 4-[(Z)-2-(4-bromophenyl)-1-(4-nitrophenyl)ethenyl]pyridine |
| MolecularFormula | C19H13N2O2Br |
| Smiles | [O-][N+](c(cc1)ccc1/C(/c1ccncc1)=C/c(cc1)ccc1Br)=O |
| InChI | InChI=1S/C19H13BrN2O2/c20-17-5-1-14(2-6-17)13-19(16-9-11-21-12-10-16)15-3-7-18(8-4-15)22(23)24/h1-13H |
| InChIK | YIUTYJXHGPEIAA-UHFFFAOYSA-N |
| TotalMolweight | 381.228 |
| Molweight | 381.228 |
| MonoisotopicMass | 380.016039 |
| CLogP | 3.218 |
| CLogS | -5.456 |
| H Acceptors | 4 |
| TotalSurfaceArea | 258.55 |
| Relative PSA | 0.16009 |
| PolarSurfaceArea | 58.71 |
| Druglikeness | -7.6144 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.54167 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 1 |
| Symmetricatoms | 6 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 4-[(Z)-2-(4-bromophenyl)-1-(4-nitrophenyl)ethenyl]pyridine | 2 - 4-[(Z)-2-(4-bromophenyl)-1-(4-nitrophenyl)ethenyl]pyridine
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