General Information of the Compound
| Compound ID |
CP0174838
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| Compound Name |
3-(4-chlorobenzyl)chroman-4-one
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| Structure |
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| Formula |
C16H13ClO2
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| Molecular Weight |
272.731
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| Canonical SMILES |
Clc1ccc(CC2COc3ccccc3C2=O)cc1
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| InChI |
InChI=1S/C16H13ClO2/c17-13-7-5-11(6-8-13)9-12-10-19-15-4-2-1-3-14(15)16(12)18/h1-8,12H,9-10H2
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| InChIKey |
YJFXWVMIPDREFG-UHFFFAOYSA-N
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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