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Chemical ID: 6424148
Chemical ID:
6424148
Name [?]:
None
SMILES [?]:
CC1(C=Cc2cc3c(cc2O1)OCC4(C3Oc5c4ccc(c5)O)O)C
InChi [?]:
InChI=1/C20H18O5/c1-19(2)6-5-11-7-13-16(9-15(11)25-19)23-10-20(22)14-4-3-12(21)8-17(14)24-18(13)20/h3-9,18,21-22H,10H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,25,20,19,4,3,6,22,9,13,5,21,7,18,10,8,17,15,2,14,23,24,12,16,11/E:(1,2)/rA:25cCCCCCCCCCCOOCCCOCCCCCCOOC/rB:s1;s2;d3;s4;s5;d6;s7;d8;d5s9;s2s10;s8;s12;s13;s7s14;s15;s16;s14s17;d18;s19;d20;d17s21;s21;s14;s2;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H18O5 |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 6.6983 |
Area: | 496.459 |
Solvation: | -5.71318 |
Coulombic: | -57.5583 |
Bond Count [?]
All: | 29 |
Single: | 22 |
Double: | 7 |
Rotors: | 0 |
Chiral: | 0 |
Rigid Segments: | 1 |
Chemical Properties
Molecular Weight: | 338.354 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 2.66 |
LogP (Chemaxon): | 2.52 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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