1-[(Z)-2-(2,4-dinitrophenyl)ethenyl]naphthalene
Formula:C18H12N2O4
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
1-[(Z)-2-(2,4-dinitrophenyl)ethenyl]naphthalene is a drug-like molecule.
| MolName | 1-[(Z)-2-(2,4-dinitrophenyl)ethenyl]naphthalene |
| MolecularFormula | C18H12N2O4 |
| Smiles | [O-][N+](c1cc([N+]([O-])=O)c(/C=C\c2cccc3ccccc23)cc1)=O |
| InChI | InChI=1S/C18H12N2O4/c21-19(22)16-11-10-15(18(12-16)20(23)24)9-8-14-6-3-5-13-4-1-2-7-17(13)14/h1-12H |
| InChIK | PIBSPTNFNZNNJZ-UHFFFAOYSA-N |
| TotalMolweight | 320.303 |
| Molweight | 320.303 |
| MonoisotopicMass | 320.079708 |
| CLogP | 3.2178 |
| CLogS | -6.278 |
| H Acceptors | 6 |
| TotalSurfaceArea | 241.46 |
| Relative PSA | 0.25197 |
| PolarSurfaceArea | 91.64 |
| Druglikeness | -6.9544 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.54167 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 2 |
| AcidicOxygens | 2 |
| StereoCon |
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1 - 1-[(Z)-2-(2,4-dinitrophenyl)ethenyl]naphthalene | 2 - 1-[(Z)-2-(2,4-dinitrophenyl)ethenyl]naphthalene
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