General Information of the Compound
| Compound ID |
CP0095800
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| Compound Name |
2-chloro-1-phenylethan-1-one
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| Synonyms |
chloromethyl phenyl ketone
mace (lacrimator)
omega-chloroacetophenone
phenacyl chloride
tear gas
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| Structure |
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| Formula |
C8H7ClO
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| Molecular Weight |
154.596
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| Canonical SMILES |
ClCC(=O)c1ccccc1
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| InChI |
InChI=1S/C8H7ClO/c9-6-8(10)7-4-2-1-3-5-7/h1-5H,6H2
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| InChIKey |
IMACFCSSMIZSPP-UHFFFAOYSA-N
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| CAS |
532-27-4
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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