Compound Summary (CID 5358392) |
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  Compound Information CID 5358392 Create Date: 2005-03-26 Suppressed Compound Properties and Descriptors | Properties | | | | Molecular Weight | | 233.22004 [g/mol] | | Molecular Formula | | C12H11NO4 | | XLogP3-AA | | 1.4 | | H-Bond Donor | | 1 | | H-Bond Acceptor | | 4 | | Rotatable Bond Count | | 2 | | | | | Exact Mass | | 233.068808 | | MonoIsotopic Mass | | 233.068808 | | Topological Polar Surface Area | | 66.8 | | Heavy Atom Count | | 17 | | Formal Charge | | 0 | | Complexity | | 369 | | Isotope Atom Count | | 0 | | Defined Atom Stereocenter Count | | 0 | | Undefined Atom Stereocenter Count | | 0 | | Defined Bond Stereocenter Count | | 1 | | Undefined Bond Stereocenter Count | | 0 | | Covalently-Bonded Unit Count | | 1 | | | | | Feature 3D Acceptor Count | | 3 | | Feature 3D Donor Count | | 1 | | Feature 3D Ring Count | | 2 | | Effective Rotor Count | | 2.4 | | Conformer Sampling RMSD | | 0.6 | | CID Conformer Count | | 2 |
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Old Version Substance Information |
