3-[(E)-2-nitroethenyl]-5-phenylmethoxy-1H-indole
Formula:C17H14N2O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-[(E)-2-nitroethenyl]-5-phenylmethoxy-1H-indole is a drug-like molecule.
| MolName | 3-[(E)-2-nitroethenyl]-5-phenylmethoxy-1H-indole |
| MolecularFormula | C17H14N2O3 |
| Smiles | [O-][N+](/C=C/c1c[nH]c(cc2)c1cc2OCc1ccccc1)=O |
| InChI | InChI=1S/C17H14N2O3/c20-19(21)9-8-14-11-18-17-7-6-15(10-16(14)17)22-12-13-4-2-1-3-5-13/h1-11,18H,12H2 |
| InChIK | VHFAFPNKRNJZPV-UHFFFAOYSA-N |
| TotalMolweight | 294.309 |
| Molweight | 294.309 |
| MonoisotopicMass | 294.100443 |
| CLogP | 2.1573 |
| CLogS | -4.492 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 231.12 |
| Relative PSA | 0.23542 |
| PolarSurfaceArea | 70.84 |
| Druglikeness | -5.6375 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.63636 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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