General Information of the Compound
| Compound ID |
CP0578431
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| Compound Name |
[2-methoxy-4-[(E)-2-nitroethenyl]phenyl] acetate
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| Structure |
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| Formula |
C11H11NO5
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| Molecular Weight |
237.211
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| Canonical SMILES |
COc1cc(\C=C\[N+]([O-])=O)ccc1OC(C)=O
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| InChI |
InChI=1S/C11H11NO5/c1-8(13)17-10-4-3-9(5-6-12(14)15)7-11(10)16-2/h3-7H,1-2H3/b6-5+
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| InChIKey |
OTVNMEHTSLGKMY-AATRIKPKSA-N
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| CAS |
6622-95-3
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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