General Information of the Compound
| Compound ID |
CP0388610
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| Compound Name |
2-chlorobenzylidenemalononitrile
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| Synonyms |
2-chlorobenzylidene malononitrile
CS gas (lacrimator)
alonitrile
chlorobenzylidene malononitrile
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| Structure |
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| Formula |
C10H5ClN2
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| Molecular Weight |
188.617
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| Canonical SMILES |
Clc1ccccc1C=C(C#N)C#N
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| InChI |
InChI=1S/C10H5ClN2/c11-10-4-2-1-3-9(10)5-8(6-12)7-13/h1-5H
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| InChIKey |
JJNZXLAFIPKXIG-UHFFFAOYSA-N
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| CAS |
2698-41-1
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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
Clinical Information about the Compound