Chemical ID: 4561881

COc1c2ccoc2c(c3c1C(=O)CC(O3)(C(C(F)(F)F)(F)F)O)OC
Chemical ID:
4561881
Name [?]:
None
SMILES [?]:
COc1c2ccoc2c(c3c1C(=O)CC(O3)(C(C(F)(F)F)(F)F)O)OC
InChi [?]:
InChI=1/C15H11F5O6/c1-23-9-6-3-4-25-10(6)12(24-2)11-8(9)7(21)5-13(22,26-11)14(16,17)15(18,19)20/h3-4,22H,5H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,26,5,6,14,4,12,11,3,8,10,9,15,17,18,22,23,19,20,21,13,24,2,25,7,16/E:(16,17)(18,19,20)/rA:26cCOCCCCOCCCCCOCCOCCFFFFFOOC/rB:s1;s2;s3;s4;d5;s6;d4s7;s8;d9;d3s10;s11;d12;s12;s14;s10s15;s15;s17;s18;s18;s18;s17;s17;s15;s9;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H11F5O6
All Atoms:26
Heavy Atoms:26
Chiral Atoms:1
ZAP Information [?]
Total:4.42463
Area:458.54
Solvation:-7.03886
Coulombic:-83.6617
Bond Count [?]
All:28
Single:23
Double:5
Rotors:4
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:382.236
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:3.03
LogP (Chemaxon):3.35

Name Annotations

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Descriptor Annotations

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