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Chemical ID: 5581586
Chemical ID:
5581586
Name [?]:
5-hydroxy-6,7-dimethoxy-2-phenyl-chromen-4-one
SMILES [?]:
COc1cc2c(c(=O)cc(o2)c3ccccc3)c(c1OC)O
InChi [?]:
InChI=1/C17H14O5/c1-20-14-9-13-15(16(19)17(14)21-2)11(18)8-12(22-13)10-6-4-3-5-7-10/h3-9,19H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,21,15,14,16,13,17,9,4,12,7,10,5,3,6,18,19,8,22,2,20,11/E:(4,5)(6,7)/rA:22nCOCCCCCOCCOCCCCCCCCOCO/rB:s1;s2;s3;d4;s5;s6;d7;s7;d9;s5s10;s10;s12;d13;s14;d15;d12s16;d6;d3s18;s19;s20;s18;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H14O5 |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 5.62013 |
Area: | 477.113 |
Solvation: | -6.3077 |
Coulombic: | -45.6162 |
Bond Count [?]
All: | 24 |
Single: | 16 |
Double: | 8 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 298.29 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 2.79 |
LogP (Chemaxon): | 3.48 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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