2,4-diphenyl-9H-pyrido[2,3-b]indole
Formula:C23H16N2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2,4-diphenyl-9H-pyrido[2,3-b]indole is not a drug-like molecule.
| MolName | 2,4-diphenyl-9H-pyrido[2,3-b]indole |
| MolecularFormula | C23H16N2 |
| Smiles | c(cc1)ccc1-c1cc(-c2ccccc2)nc2c1c(cccc1)c1[nH]2 |
| InChI | InChI=1S/C23H16N2/c1-3-9-16(10-4-1)19-15-21(17-11-5-2-6-12-17)25-23-22(19)18-13-7-8-14-20(18)24-23/h1-15H,(H,24,25) |
| InChIK | BKRHQSKNVMEJIM-UHFFFAOYSA-N |
| TotalMolweight | 320.394 |
| Molweight | 320.394 |
| MonoisotopicMass | 320.131348 |
| CLogP | 5.7073 |
| CLogS | -7.556 |
| H Acceptors | 2 |
| H Donors | 1 |
| TotalSurfaceArea | 250.31 |
| Relative PSA | 0.099716 |
| PolarSurfaceArea | 28.68 |
| Druglikeness | -0.82797 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.44 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 2 |
| Electronegative Atoms | 2 |
| Rotatable Bond | 2 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 25 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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