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Chemical ID: 5469147
Chemical ID:
5469147
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)ccc3c2c(cc(=O)o3)COC(=O)c4ccc(cc4)OC(F)F
InChi [?]:
InChI=1/C22H14F2O5/c23-22(24)28-16-8-5-14(6-9-16)21(26)27-12-15-11-19(25)29-18-10-7-13-3-1-2-4-17(13)20(15)18/h1-11,22H,12H2
InChi Info:
AuxInfo=1/0/N:1,2,6,3,21,25,7,22,24,8,12,16,5,20,11,23,4,9,13,10,18,27,28,29,14,19,17,26,15/E:(5,6)(8,9)(23,24)/rA:29nCCCCCCCCCCCCCOOCOCOCCCCCCOCFF/rB:s1;d2;s3;s4;d1s5;d5;s7;d8;d4s9;s10;d11;s12;d13;s9s13;s11;s16;s17;d18;s18;s20;d21;s22;d23;d20s24;s23;s26;s27;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H14F2O5 |
All Atoms: | 29 |
Heavy Atoms: | 29 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.68437 |
Area: | 574.094 |
Solvation: | -4.66798 |
Coulombic: | -60.0815 |
Bond Count [?]
All: | 32 |
Single: | 21 |
Double: | 11 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 396.34 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 5.23 |
LogP (Chemaxon): | 5.04 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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