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Chemical ID: 7667248
Chemical ID:
7667248
Name [?]:
None
SMILES [?]:
c1c(n(nc1C(F)(F)F)CCC(=O)O)C2CC2
InChi [?]:
InChI=1/C10H11F3N2O2/c11-10(12,13)8-5-7(6-1-2-6)15(14-8)4-3-9(16)17/h5-6H,1-4H2,(H,16,17)
InChi Info:
AuxInfo=1/1/N:16,17,11,10,1,15,2,5,12,6,7,8,9,4,3,13,14/E:(1,2)(11,12,13)(16,17)/rA:17nCCNNCCFFFCCCOOCCC/rB:d1;s2;s3;s1d4;s5;s6;s6;s6;s3;s10;s11;d12;s12;s2;s15;s15s16;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H11F3N2O2 |
All Atoms: | 28 |
Heavy Atoms: | 17 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 7.21017 |
Area: | 409.259 |
Solvation: | -3.02131 |
Coulombic: | -49.0395 |
Bond Count [?]
All: | 18 |
Single: | 15 |
Double: | 3 |
Rotors: | 5 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 1.42 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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