(E)-2-(1H-imidazo[4,5-b]pyridin-2-yl)-3-(4-nitrophenyl)prop-2-enenitrile
Formula:C15H9N5O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-2-(1H-imidazo[4,5-b]pyridin-2-yl)-3-(4-nitrophenyl)prop-2-enenitrile is a drug-like molecule.
| MolName | (E)-2-(1H-imidazo[4,5-b]pyridin-2-yl)-3-(4-nitrophenyl)prop-2-enenitrile |
| MolecularFormula | C15H9N5O2 |
| Smiles | N#C/C(/c1nc(nccc2)c2[nH]1)=C\c(cc1)ccc1[N+]([O-])=O |
| InChI | InChI=1S/C15H9N5O2/c16-9-11(8-10-3-5-12(6-4-10)20(21)22)14-18-13-2-1-7-17-15(13)19-14/h1-8H,(H,17,18,19) |
| InChIK | CZICAQDPOMYFBI-UHFFFAOYSA-N |
| TotalMolweight | 291.269 |
| Molweight | 291.269 |
| MonoisotopicMass | 291.075625 |
| CLogP | 1.0117 |
| CLogS | -3.634 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 224.8 |
| Relative PSA | 0.35547 |
| PolarSurfaceArea | 111.18 |
| Druglikeness | -8.9328 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.59091 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 3 |
| BasicNitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - (E)-2-(1H-imidazo[4,5-b]pyridin-2-yl)-3-(4-nitrophenyl)prop-2-enenitrile | 2 - (E)-2-(1H-imidazo[4,5-b]pyridin-2-yl)-3-(4-nitrophenyl)prop-2-enenitrile
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