General Information of the Compound
| Compound ID |
CP0419309
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| Compound Name |
3-(4-chlorophenyl)propanoic acid
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| Structure |
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| Formula |
C9H9ClO2
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| Molecular Weight |
184.622
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| Canonical SMILES |
OC(=O)CCc1ccc(Cl)cc1
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| InChI |
InChI=1S/C9H9ClO2/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-2,4-5H,3,6H2,(H,11,12)
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| InChIKey |
BBSLOKZINKEUCR-UHFFFAOYSA-N
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| CAS |
2019-34-3
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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