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Chemical ID: 7091396
Chemical ID:
7091396
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)C(=O)OC23c4ccc(cc4Oc5c3ccc(c5)[O-])[O-]
InChi [?]:
InChI=1/C20H12O5/c21-11-5-7-15-17(9-11)24-18-10-12(22)6-8-16(18)20(15)14-4-2-1-3-13(14)19(23)25-20/h1-10,21-22H/p-2
InChi Info:
AuxInfo=1/1/N:1,2,6,3,13,21,12,20,15,23,14,22,5,4,11,19,16,18,7,10,25,24,8,17,9/E:(5,6)(7,8)(9,10)(11,12)(15,16)(17,18)(21,22)/rA:25cCCCCCCCOOCCCCCCCOCCCCCCO-O-/rB:s1;d2;s3;d4;d1s5;s5;d7;s7;s4s9;s10;s11;d12;s13;d14;d11s15;s16;s17;s10s18;d19;s20;d21;d18s22;s22;s14;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H10O5-2 |
All Atoms: | 35 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | -94.3961 |
Area: | 489.884 |
Solvation: | -106.643 |
Coulombic: | 21.299 |
Bond Count [?]
All: | 29 |
Single: | 19 |
Double: | 10 |
Rotors: | 0 |
Chiral: | 0 |
Rigid Segments: | 1 |
Chemical Properties
Molecular Weight: | 330.29 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 5 |
XLogP: | 3.41 |
LogP (Chemaxon): | 3.78 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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