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Chemical ID: 7655094
Chemical ID:
7655094
Name [?]:
None
SMILES [?]:
CC(CC(C(=O)O)NC(=O)OCC1c2ccccc2-c3c1cccc3)C(F)(F)F
InChi [?]:
InChI=1/C21H20F3NO4/c1-12(21(22,23)24)10-18(19(26)27)25-20(28)29-11-17-15-8-4-2-6-13(15)14-7-3-5-9-16(14)17/h2-9,12,17-18H,10-11H2,1H3,(H,25,28)(H,26,27)
InChi Info:
AuxInfo=1/1/N:1,17,24,16,23,18,25,15,22,3,12,2,19,20,14,21,13,4,5,9,26,27,28,29,8,6,7,10,11/E:(2,3)(4,5)(6,7)(8,9)(13,14)(15,16)(22,23,24)(26,27)/rA:29cCCCCCOONCOOCCCCCCCCCCCCCCCFFF/rB:s1;s2;s3;s4;d5;s5;s4;s8;d9;s9;s11;s12;s13;s14;d15;s16;d17;d14s18;s19;s13s20;d21;s22;d23;d20s24;s2;s26;s26;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H20F3NO4 |
All Atoms: | 49 |
Heavy Atoms: | 29 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 10.7513 |
Area: | 602.413 |
Solvation: | -4.30899 |
Coulombic: | -79.3784 |
Bond Count [?]
All: | 31 |
Single: | 23 |
Double: | 8 |
Rotors: | 9 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 5.08 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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