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Chemical ID: 5611743
Chemical ID:
5611743
Name [?]:
2-phenyl-1-(2,4,5-trihydroxyphenyl)-ethanone
SMILES [?]:
c1ccc(cc1)CC(=O)c2cc(c(cc2O)O)O
InChi [?]:
InChI=1/C14H12O4/c15-11(6-9-4-2-1-3-5-9)10-7-13(17)14(18)8-12(10)16/h1-5,7-8,16-18H,6H2
InChi Info:
AuxInfo=1/0/N:1,2,6,3,5,7,11,14,4,10,8,15,12,13,9,16,18,17/E:(2,3)(4,5)/rA:18nCCCCCCCCOCCCCCCOOO/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s8;s10;d11;s12;d13;d10s14;s15;s13;s12;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H12O4 |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 4.74962 |
Area: | 423.679 |
Solvation: | -5.84236 |
Coulombic: | -54.1779 |
Bond Count [?]
All: | 19 |
Single: | 12 |
Double: | 7 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 244.243 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 4 |
XLogP: | 2.61 |
LogP (Chemaxon): | 3.0 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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