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Chemical ID: 4234814
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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