General Information of the Compound
| Compound ID |
CP0395962
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| Compound Name |
4-(3-nitrophenyl)-2H-triazole
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| Structure |
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| Formula |
C8H6N4O2
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| Molecular Weight |
190.162
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| Canonical SMILES |
[O-][N+](=O)c1cccc(c1)-c1c[nH]nn1
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| InChI |
InChI=1S/C8H6N4O2/c13-12(14)7-3-1-2-6(4-7)8-5-9-11-10-8/h1-5H,(H,9,10,11)
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| InChIKey |
NZVNNAOFCPPGGI-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