Chemical ID: 4561626

COc1c2ccoc2c(c3c1c(=O)cc(o3)C(C(C(F)(F)F)(F)F)(F)F)OC
Chemical ID:
4561626
Name [?]:
None
SMILES [?]:
COc1c2ccoc2c(c3c1c(=O)cc(o3)C(C(C(F)(F)F)(F)F)(F)F)OC
InChi [?]:
InChI=1/C16H9F7O5/c1-25-10-6-3-4-27-11(6)13(26-2)12-9(10)7(24)5-8(28-12)14(17,18)15(19,20)16(21,22)23/h3-5H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,28,5,6,14,4,12,15,11,3,8,10,9,17,18,19,25,26,23,24,20,21,22,13,2,27,7,16/E:(17,18)(19,20)(21,22,23)/rA:28nCOCCCCOCCCCCOCCOCCCFFFFFFFOC/rB:s1;s2;s3;s4;d5;s6;d4s7;s8;d9;d3s10;s11;d12;s12;d14;s10s15;s15;s17;s18;s19;s19;s19;s18;s18;s17;s17;s9;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H9F7O5
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:4.97823
Area:499.912
Solvation:-7.51957
Coulombic:-75.6066
Bond Count [?]
All:30
Single:24
Double:6
Rotors:5
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:414.228
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:4.25
LogP (Chemaxon):4.56

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Descriptor Annotations

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