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Chemical ID: 5817281
Chemical ID:
5817281
Name [?]:
3,5,7-trihydroxy-2-phenyl-chromen-4-one
SMILES [?]:
c1ccc(cc1)c2c(c(=O)c3c(cc(cc3o2)O)O)O
InChi [?]:
InChI=1/C15H10O5/c16-9-6-10(17)12-11(7-9)20-15(14(19)13(12)18)8-4-2-1-3-5-8/h1-7,16-17,19H
InChi Info:
AuxInfo=1/0/N:1,2,6,3,5,13,15,4,14,12,16,11,9,8,7,18,19,10,20,17/E:(2,3)(4,5)/rA:20nCCCCCCCCCOCCCCCCOOOO/rB:s1;d2;s3;d4;d1s5;s4;d7;s8;d9;s9;s11;d12;s13;d14;d11s15;s7s16;s14;s12;s8;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H10O5 |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 5.91874 |
Area: | 432.522 |
Solvation: | -4.89432 |
Coulombic: | -64.5284 |
Bond Count [?]
All: | 22 |
Single: | 14 |
Double: | 8 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 270.237 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 4 |
XLogP: | 3.17 |
LogP (Chemaxon): | 4.07 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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