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Chemical ID: 7699421
Chemical ID:
7699421
Name [?]:
None
SMILES [?]:
CC1(C2C1(C(=O)Oc3c2cccc3)C(=O)NC4CCCCC4)C(=O)c5c(c(c(c(c5F)F)F)F)F
InChi [?]:
InChI=1/C25H20F5NO4/c1-24(21(32)14-15(26)17(28)19(30)18(29)16(14)27)20-12-9-5-6-10-13(12)35-23(34)25(20,24)22(33)31-11-7-3-2-4-8-11/h5-6,9-11,20H,2-4,7-8H2,1H3,(H,31,33)
InChi Info:
AuxInfo=1/1/N:1,20,19,21,11,12,18,22,10,13,17,9,8,25,26,30,27,29,28,3,23,14,5,2,4,35,31,34,32,33,16,24,15,6,7/E:(3,4)(7,8)(15,16)(17,18)(26,27)(28,29)/rA:35cCCCCCOOCCCCCCCONCCCCCCCOCCCCCCFFFFF/rB:s1;s2;s2s3;s4;d5;s5;s7;s3s8;d9;s10;d11;d8s12;s4;d14;s14;s16;s17;s18;s19;s20;s17s21;s2;d23;s23;s25;d26;s27;d28;d25s29;s30;s29;s28;s27;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C25H20F5NO4 |
All Atoms: | 55 |
Heavy Atoms: | 35 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 6.3354 |
Area: | 606.341 |
Solvation: | -8.82312 |
Coulombic: | -57.5736 |
Bond Count [?]
All: | 39 |
Single: | 30 |
Double: | 9 |
Rotors: | 5 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 4.57 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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