General Information of the Compound
| Compound ID |
CP0309909
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| Compound Name |
4-Chloro-benzenethiol
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| Structure |
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| Formula |
C6H5ClS
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| Molecular Weight |
144.626
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| Canonical SMILES |
Sc1ccc(Cl)cc1
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| InChI |
InChI=1S/C6H5ClS/c7-5-1-3-6(8)4-2-5/h1-4,8H
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| InChIKey |
VZXOZSQDJJNBRC-UHFFFAOYSA-N
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| CAS |
106-54-7
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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