Chemical ID: 4234814

COc1c2ccoc2c(c3c1c(=O)cc(o3)C(F)F)OC
Chemical ID:
4234814
Name [?]:
None
SMILES [?]:
COc1c2ccoc2c(c3c1c(=O)cc(o3)C(F)F)OC
InChi [?]:
InChI=1/C14H10F2O5/c1-18-10-6-3-4-20-11(6)13(19-2)12-9(10)7(17)5-8(21-12)14(15)16/h3-5,14H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,21,5,6,14,4,12,15,11,3,8,10,9,17,18,19,13,2,20,7,16/E:(15,16)/rA:21nCOCCCCOCCCCCOCCOCFFOC/rB:s1;s2;s3;s4;d5;s6;d4s7;s8;d9;d3s10;s11;d12;s12;d14;s10s15;s15;s17;s17;s9;s20;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H10F2O5
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:3.01269
Area:426.12
Solvation:-7.6403
Coulombic:-44.4743
Bond Count [?]
All:23
Single:17
Double:6
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:296.223
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:2.16
LogP (Chemaxon):2.17

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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