Chemical ID: 4561727

COc1c2ccoc2c(c3c1C(=O)CC(O3)(C(F)F)O)OC
Chemical ID:
4561727
Name [?]:
None
SMILES [?]:
COc1c2ccoc2c(c3c1C(=O)CC(O3)(C(F)F)O)OC
InChi [?]:
InChI=1/C14H12F2O6/c1-19-9-6-3-4-21-10(6)12(20-2)11-8(9)7(17)5-14(18,22-11)13(15)16/h3-4,13,18H,5H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,22,5,6,14,4,12,11,3,8,10,9,17,15,18,19,13,20,2,21,7,16/E:(15,16)/rA:22cCOCCCCOCCCCCOCCOCFFOOC/rB:s1;s2;s3;s4;d5;s6;d4s7;s8;d9;d3s10;s11;d12;s12;s14;s10s15;s15;s17;s17;s15;s9;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H12F2O6
All Atoms:22
Heavy Atoms:22
Chiral Atoms:1
ZAP Information [?]
Total:2.76258
Area:431.383
Solvation:-8.02201
Coulombic:-62.4146
Bond Count [?]
All:24
Single:19
Double:5
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:314.238
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:1.64
LogP (Chemaxon):1.8

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Descriptor Annotations

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