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Chemical ID: 6424282
Chemical ID:
6424282
Name [?]:
None
SMILES [?]:
CC1(C=Cc2cc3c(cc2O1)OC4C3COc5c4ccc(c5)O)C
InChi [?]:
InChI=1/C20H18O4/c1-20(2)6-5-11-7-14-15-10-22-17-8-12(21)3-4-13(17)19(15)23-18(14)9-16(11)24-20/h3-9,15,19,21H,10H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,24,20,19,4,3,6,22,9,15,5,21,18,7,14,10,17,8,13,2,23,16,12,11/E:(1,2)/rA:24cCCCCCCCCCCOOCCCOCCCCCCOC/rB:s1;s2;d3;s4;s5;d6;s7;d8;d5s9;s2s10;s8;s12;s7s13;s14;s15;s16;s13s17;d18;s19;d20;d17s21;s21;s2;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H18O4 |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 7.92212 |
Area: | 490.31 |
Solvation: | -4.33564 |
Coulombic: | -40.687 |
Bond Count [?]
All: | 28 |
Single: | 21 |
Double: | 7 |
Rotors: | 0 |
Chiral: | 0 |
Rigid Segments: | 1 |
Chemical Properties
Molecular Weight: | 322.355 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 3.61 |
LogP (Chemaxon): | 3.15 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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