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Chemical ID: 6470294
Chemical ID:
6470294
Name [?]:
None
SMILES [?]:
COc1ccccc1C(c2c(c3c4ccccc4ccc3oc2=O)O)c5c(c6c7ccccc7ccc6oc5=O)O
InChi [?]:
InChI=1/C34H22O7/c1-39-23-13-7-6-12-22(23)28(29-31(35)26-20-10-4-2-8-18(20)14-16-24(26)40-33(29)37)30-32(36)27-21-11-5-3-9-19(21)15-17-25(27)41-34(30)38/h2-17,28,35-36H,1H3
InChi Info:
AuxInfo=1/0/N:1,16,32,15,31,6,5,17,33,14,30,7,4,19,35,20,36,18,34,13,29,8,3,21,37,12,28,9,10,26,11,27,23,39,25,41,24,40,2,22,38/E:(2,3)(4,5)(8,9)(10,11)(14,15)(16,17)(18,19)(20,21)(24,25)(26,27)(29,30)(31,32)(33,34)(35,36)(37,38)(40,41)/rA:41nCOCCCCCCCCCCCCCCCCCCCOCOOCCCCCCCCCCCCOCOO/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;d10;s11;s12;s13;d14;s15;d16;d13s17;s18;d19;d12s20;s21;s10s22;d23;s11;s9;d26;s27;s28;s29;d30;s31;d32;d29s33;s34;d35;d28s36;s37;s26s38;d39;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C34H22O7 |
All Atoms: | 41 |
Heavy Atoms: | 41 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.719 |
Area: | 696.188 |
Solvation: | -5.68574 |
Coulombic: | -79.8563 |
Bond Count [?]
All: | 47 |
Single: | 30 |
Double: | 17 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 542.534 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 7.07 |
LogP (Chemaxon): | 8.29 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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