Chemical ID: 4561934

COc1c2ccoc2c(c3c1C(=O)CC(O3)(C(C(F)F)(F)F)O)OC
Chemical ID:
4561934
Name [?]:
None
SMILES [?]:
COc1c2ccoc2c(c3c1C(=O)CC(O3)(C(C(F)F)(F)F)O)OC
InChi [?]:
InChI=1/C15H12F4O6/c1-22-9-6-3-4-24-10(6)12(23-2)11-8(9)7(20)5-14(21,25-11)15(18,19)13(16)17/h3-4,13,21H,5H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,25,5,6,14,4,12,11,3,8,10,9,18,15,17,19,20,21,22,13,23,2,24,7,16/E:(16,17)(18,19)/rA:25cCOCCCCOCCCCCOCCOCCFFFFOOC/rB:s1;s2;s3;s4;d5;s6;d4s7;s8;d9;d3s10;s11;d12;s12;s14;s10s15;s15;s17;s18;s18;s17;s17;s15;s9;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H12F4O6
All Atoms:25
Heavy Atoms:25
Chiral Atoms:1
ZAP Information [?]
Total:1.84599
Area:455.219
Solvation:-9.53447
Coulombic:-72.1759
Bond Count [?]
All:27
Single:22
Double:5
Rotors:4
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:364.246
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:2.52
LogP (Chemaxon):2.63

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue