3-[(E)-2-nitroethenyl]-1H-benzo[g]indole
Formula:C14H10N2O2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
3-[(E)-2-nitroethenyl]-1H-benzo[g]indole is a drug-like molecule.
| MolName | 3-[(E)-2-nitroethenyl]-1H-benzo[g]indole |
| MolecularFormula | C14H10N2O2 |
| Smiles | [O-][N+](/C=C/c1c[nH]c2c1ccc1ccccc12)=O |
| InChI | InChI=1S/C14H10N2O2/c17-16(18)8-7-11-9-15-14-12-4-2-1-3-10(12)5-6-13(11)14/h1-9,15H |
| InChIK | LBWYZSXJXVJXRJ-UHFFFAOYSA-N |
| TotalMolweight | 238.245 |
| Molweight | 238.245 |
| MonoisotopicMass | 238.074228 |
| CLogP | 2.0036 |
| CLogS | -4.757 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 182.2 |
| Relative PSA | 0.24374 |
| PolarSurfaceArea | 61.61 |
| Druglikeness | -5.4557 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.61111 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 13 |
| Sp3Atoms | 1 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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