General Information of the Compound
| Compound ID |
CP0531297
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| Compound Name |
ethyl 3-(4-nitrophenyl)benzoate
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| Structure |
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| Formula |
C15H13NO4
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| Molecular Weight |
271.272
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| Canonical SMILES |
CCOC(=O)c1cccc(c1)-c1ccc(cc1)[N+]([O-])=O
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| InChI |
InChI=1S/C15H13NO4/c1-2-20-15(17)13-5-3-4-12(10-13)11-6-8-14(9-7-11)16(18)19/h3-10H,2H2,1H3
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| InChIKey |
CVQWASGOCSRPKQ-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