1-chloro-2-[(E)-2-(4-nitrophenyl)ethenyl]benzene
Formula:C14H10NO2Cl
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
1-chloro-2-[(E)-2-(4-nitrophenyl)ethenyl]benzene is a drug-like molecule.
| MolName | 1-chloro-2-[(E)-2-(4-nitrophenyl)ethenyl]benzene |
| MolecularFormula | C14H10NO2Cl |
| Smiles | [O-][N+](c1ccc(/C=C/c(cccc2)c2Cl)cc1)=O |
| InChI | InChI=1S/C14H10ClNO2/c15-14-4-2-1-3-12(14)8-5-11-6-9-13(10-7-11)16(17)18/h1-10H |
| InChIK | KCVCIRLBAPTBEF-UHFFFAOYSA-N |
| TotalMolweight | 259.691 |
| Molweight | 259.691 |
| MonoisotopicMass | 259.040006 |
| CLogP | 3.551 |
| CLogS | -4.948 |
| H Acceptors | 3 |
| TotalSurfaceArea | 198.61 |
| Relative PSA | 0.15316 |
| PolarSurfaceArea | 45.82 |
| Druglikeness | -6.7742 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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