1-[(E)-2-nitroethenyl]cyclopenta-1,3-diene
Formula:C7H7NO2
Mutagenic:high
Tumorigenic:low
Reproductive Effective:none
1-[(E)-2-nitroethenyl]cyclopenta-1,3-diene is a drug-like molecule.
| MolName | 1-[(E)-2-nitroethenyl]cyclopenta-1,3-diene |
| MolecularFormula | C7H7NO2 |
| Smiles | [O-][N+](/C=C/C1=CC=CC1)=O |
| InChI | InChI=1S/C7H7NO2/c9-8(10)6-5-7-3-1-2-4-7/h1-3,5-6H,4H2 |
| InChIK | ODVIQPYZFBDZAF-UHFFFAOYSA-N |
| TotalMolweight | 137.138 |
| Molweight | 137.138 |
| MonoisotopicMass | 137.047679 |
| CLogP | 0.2756 |
| CLogS | -1.962 |
| H Acceptors | 3 |
| TotalSurfaceArea | 115.14 |
| Relative PSA | 0.2642 |
| PolarSurfaceArea | 45.82 |
| Druglikeness | -6.75 |
| Mutagenic | high |
| Tumorigenic | low |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.7 |
| Fragments | 1 |
| Non HAtoms | 10 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 2 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Sp3Atoms | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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