2-naphthalen-2-yl-3-[(E)-2-nitroethenyl]-1H-indole
Formula:C20H14N2O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
2-naphthalen-2-yl-3-[(E)-2-nitroethenyl]-1H-indole is a drug-like molecule.
| MolName | 2-naphthalen-2-yl-3-[(E)-2-nitroethenyl]-1H-indole |
| MolecularFormula | C20H14N2O2 |
| Smiles | [O-][N+](/C=C/c1c(-c2cc3ccccc3cc2)[nH]c2c1cccc2)=O |
| InChI | InChI=1S/C20H14N2O2/c23-22(24)12-11-18-17-7-3-4-8-19(17)21-20(18)16-10-9-14-5-1-2-6-15(14)13-16/h1-13,21H |
| InChIK | HFTNZWSUCMVIGY-UHFFFAOYSA-N |
| TotalMolweight | 314.343 |
| Molweight | 314.343 |
| MonoisotopicMass | 314.105528 |
| CLogP | 3.7538 |
| CLogS | -6.535 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 241.96 |
| Relative PSA | 0.18354 |
| PolarSurfaceArea | 61.61 |
| Druglikeness | -4.7693 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 19 |
| Sp3Atoms | 1 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 2-naphthalen-2-yl-3-[(E)-2-nitroethenyl]-1H-indole | 2 - 2-naphthalen-2-yl-3-[(E)-2-nitroethenyl]-1H-indole
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