Chemical ID: 4562059

COc1c2ccoc2c(c3c1C(=O)CC(O3)(C(C(C(F)(F)F)(F)F)(F)F)O)OC
Chemical ID:
4562059
Name [?]:
None
SMILES [?]:
COc1c2ccoc2c(c3c1C(=O)CC(O3)(C(C(C(F)(F)F)(F)F)(F)F)O)OC
InChi [?]:
InChI=1/C16H11F7O6/c1-26-9-6-3-4-28-10(6)12(27-2)11-8(9)7(24)5-13(25,29-11)14(17,18)15(19,20)16(21,22)23/h3-4,25H,5H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,29,5,6,14,4,12,11,3,8,10,9,15,17,18,19,25,26,23,24,20,21,22,13,27,2,28,7,16/E:(17,18)(19,20)(21,22,23)/rA:29cCOCCCCOCCCCCOCCOCCCFFFFFFFOOC/rB:s1;s2;s3;s4;d5;s6;d4s7;s8;d9;d3s10;s11;d12;s12;s14;s10s15;s15;s17;s18;s19;s19;s19;s18;s18;s17;s17;s15;s9;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H11F7O6
All Atoms:29
Heavy Atoms:29
Chiral Atoms:1
ZAP Information [?]
Total:4.18112
Area:489.9
Solvation:-8.06637
Coulombic:-92.8843
Bond Count [?]
All:31
Single:26
Double:5
Rotors:5
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:432.244
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:3.92
LogP (Chemaxon):4.18

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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