(E)-2-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)-3-[5-(3-nitrophenyl)furan-2-yl]prop-2-enenitrile
Formula:C19H10N5O3Br
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
(E)-2-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)-3-[5-(3-nitrophenyl)furan-2-yl]prop-2-enenitrile is a drug-like molecule.
| MolName | (E)-2-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)-3-[5-(3-nitrophenyl)furan-2-yl]prop-2-enenitrile |
| MolecularFormula | C19H10N5O3Br |
| Smiles | N#C/C(/c([nH]c1c2)nc1ncc2Br)=C\c1ccc(-c2cc([N+]([O-])=O)ccc2)o1 |
| InChI | InChI=1S/C19H10BrN5O3/c20-13-8-16-19(22-10-13)24-18(23-16)12(9-21)7-15-4-5-17(28-15)11-2-1-3-14(6-11)25(26)27/h1-8,10H,(H,22,23,24) |
| InChIK | OYEUHPVQEJYJAN-UHFFFAOYSA-N |
| TotalMolweight | 436.224 |
| Molweight | 436.224 |
| MonoisotopicMass | 434.996701 |
| CLogP | 2.6758 |
| CLogS | -5.928 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 292.88 |
| Relative PSA | 0.32102 |
| PolarSurfaceArea | 124.32 |
| Druglikeness | -9.4066 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.57143 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 20 |
| Sp3Atoms | 1 |
| Aromatic Nitrogens | 3 |
| BasicNitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - (E)-2-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)-3-[5-(3-nitrophenyl)furan-2-yl]prop-2-enenitrile | 2 - (E)-2-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)-3-[5-(3-nitrophenyl)furan-2-yl]prop-2-enenitrile
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