General Information of the Compound
| Compound ID |
CP0578432
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| Compound Name |
1-nitro-3-[(E)-2-nitroethenyl]benzene
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| Structure |
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| Formula |
C8H6N2O4
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| Molecular Weight |
194.146
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| Canonical SMILES |
[O-][N+](=O)\C=C\c1cccc(c1)[N+]([O-])=O
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| InChI |
InChI=1S/C8H6N2O4/c11-9(12)5-4-7-2-1-3-8(6-7)10(13)14/h1-6H/b5-4+
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| InChIKey |
YOEGXQQUPVDQEE-SNAWJCMRSA-N
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| CAS |
882-26-8
34441-47-9
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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