General Information of the Compound
| Compound ID |
CP0448853
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| Compound Name |
[1-hydroxy-1-(3-nitrophenyl)ethyl]phosphonic acid
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| Structure |
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| Formula |
C8H10NO6P
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| Molecular Weight |
247.143
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| Canonical SMILES |
CC(O)(c1cccc(c1)[N+]([O-])=O)P(O)(O)=O
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| InChI |
InChI=1S/C8H10NO6P/c1-8(10,16(13,14)15)6-3-2-4-7(5-6)9(11)12/h2-5,10H,1H3,(H2,13,14,15)
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| InChIKey |
DTWBIHHOWNEDMV-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound