Compound Summary (CID 5134) |
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  Compound Information CID 5134 Create Date: 2005-03-25 Deprecated compoundNo substance information Properties and Descriptors | Properties | | | | Molecular Weight | | 400.45326 [g/mol] | | Molecular Formula | | C15H24N6O5S | | XLogP3 | | -3.5 | | H-Bond Donor | | 6 | | H-Bond Acceptor | | 11 | | Rotatable Bond Count | | 7 | | | | | Exact Mass | | 400.152889 | | MonoIsotopic Mass | | 400.152889 | | Topological Polar Surface Area | | 184 | | Heavy Atom Count | | 27 | | Formal Charge | | 0 | | Complexity | | 533 | | Isotope Atom Count | | 0 | | Defined Atom Stereocenter Count | | 0 | | Undefined Atom Stereocenter Count | | 0 | | Defined Bond Stereocenter Count | | 0 | | Undefined Bond Stereocenter Count | | 0 | | Covalently-Bonded Unit Count | | 1 | | | | | Feature 3D Acceptor Count | | 5 | | Feature 3D Donor Count | | 4 | | Feature 3D Anion Count | | 1 | | Feature 3D Cation Count | | 5 | | Feature 3D Ring Count | | 3 | | Effective Rotor Count | | 8 | | Conformer Sampling RMSD | | 1 | | CID Conformer Count | | 124 |
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