Identifiers & Physical Properties
| Molecular formula | C88H106Br6Cl9N27O13S |
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| Average molar mass | 2,580.5 g/mol |
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| SMILES | CC1C2=C(C(=NC(=N2)Cl)N3CCOCC3)N(C1=O)C.CC1(C2=C(C(=NC(=N2)Cl)N3CCOCC3)N(C1=O)C)CC=C.CN1C=CC2=C1C(=NC(=N2)Cl)N3CCOCC3.CN1C=CC2=C1C(=NC(=N2)Cl)Cl.CN1C(=O)CC2=C1C(=NC(=N2)Cl)N3CCOCC3.CN1C2=C(C(C1=O)(Br)Br)N=C(N=C2N3CCOCC3)Cl.COS(=O)(=O)C.C=CCBr.C1COCCN1.C1C=CC2=C1C(=NC(=N2)Cl)Cl.C1=CC=[NH+]C=C1.Br[Br-]Br |
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| InChIKey | TWHNSJAJKRJIHU-UHFFFAOYSA-O |
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| PubChem CID | 157442163 |
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Chemical & Physical Properties
| Topological polar surface area | 421 |
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| Hydrogen bond donors | 2 |
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| Hydrogen bond acceptors | 34 |
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| Rotatable bonds | 9 |
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| Heavy atoms | 144 |
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| Formal charge | 0 |
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| Complexity | 2,390 |
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