General Information of the Compound
| Compound ID |
CP0147936
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| Compound Name |
(E)-3-Benzylidene-6-chlorochroman-4-one
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| Structure |
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| Formula |
C16H11ClO2
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| Molecular Weight |
270.715
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| Canonical SMILES |
Clc1ccc2OC\C(=C/c3ccccc3)C(=O)c2c1
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| InChI |
InChI=1S/C16H11ClO2/c17-13-6-7-15-14(9-13)16(18)12(10-19-15)8-11-4-2-1-3-5-11/h1-9H,10H2/b12-8+
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| InChIKey |
NCEBJFAQFWAWAC-XYOKQWHBSA-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