General Information of the Compound
| Compound ID |
CP0859449
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| Compound Name |
p-nitrophenyl butyrate
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| Structure |
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| Formula |
C10H11NO4
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| Molecular Weight |
209.201
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| Canonical SMILES |
CCCC(=O)Oc1ccc([N+](=O)[O-])cc1
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| InChI |
InChI=1S/C10H11NO4/c1-2-3-10(12)15-9-6-4-8(5-7-9)11(13)14/h4-7H,2-3H2,1H3
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| InChIKey |
DVDUMIQZEUTAGK-UHFFFAOYSA-N
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| CAS |
2635-84-9
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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