Chemical ID: 7091396

c1ccc2c(c1)C(=O)OC23c4ccc(cc4Oc5c3ccc(c5)[O-])[O-]
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

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue