2,3-bis(3-nitrophenyl)pyrido[3,4-b]pyrazine
Formula:C19H11N5O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2,3-bis(3-nitrophenyl)pyrido[3,4-b]pyrazine is a drug-like molecule.
| MolName | 2,3-bis(3-nitrophenyl)pyrido[3,4-b]pyrazine |
| MolecularFormula | C19H11N5O4 |
| Smiles | [O-][N+](c1cccc(-c2nc3ccncc3nc2-c2cccc([N+]([O-])=O)c2)c1)=O |
| InChI | InChI=1S/C19H11N5O4/c25-23(26)14-5-1-3-12(9-14)18-19(13-4-2-6-15(10-13)24(27)28)22-17-11-20-8-7-16(17)21-18/h1-11H |
| InChIK | MWSROCXTIBDHGR-UHFFFAOYSA-N |
| TotalMolweight | 373.327 |
| Molweight | 373.327 |
| MonoisotopicMass | 373.081105 |
| CLogP | 1.7535 |
| CLogS | -5.103 |
| H Acceptors | 9 |
| TotalSurfaceArea | 271 |
| Relative PSA | 0.34594 |
| PolarSurfaceArea | 130.31 |
| Druglikeness | -7.141 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.42857 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Sp3Atoms | 2 |
| Aromatic Nitrogens | 3 |
| AcidicOxygens | 2 |
| StereoCon |
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