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Chemical ID: 3966236
Chemical ID:
3966236
Name [?]:
7-hydroxy-3-(4-hydroxyphenyl)-chromen-4-one
SMILES [?]:
c1cc(ccc1c2coc3cc(ccc3c2=O)O)O
InChi [?]:
InChI=1/C15H10O4/c16-10-3-1-9(2-4-10)13-8-19-14-7-11(17)5-6-12(14)15(13)18/h1-8,16-17H
InChi Info:
AuxInfo=1/0/N:1,5,2,4,13,14,11,8,6,3,12,15,7,10,16,19,18,17,9/E:(1,2)(3,4)/rA:19nCCCCCCCCOCCCCCCCOOO/rB:s1;d2;s3;d4;d1s5;s6;d7;s8;s9;s10;d11;s12;d13;d10s14;s7s15;d16;s12;s3;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H10O4 |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.72116 |
Area: | 423.405 |
Solvation: | -3.86396 |
Coulombic: | -48.2661 |
Bond Count [?]
All: | 21 |
Single: | 13 |
Double: | 8 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 254.238 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 3 |
XLogP: | 2.73 |
LogP (Chemaxon): | 3.29 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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