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Chemical ID: 7667746
Chemical ID:
7667746
Name [?]:
None
SMILES [?]:
Cc1cc(nn1CC(C)C(=O)O)C(F)(F)F
InChi [?]:
InChI=1/C9H11F3N2O2/c1-5(8(15)16)4-14-6(2)3-7(13-14)9(10,11)12/h3,5H,4H2,1-2H3,(H,15,16)
InChi Info:
AuxInfo=1/1/N:9,1,3,7,8,2,4,10,13,14,15,16,5,6,11,12/E:(10,11,12)(15,16)/rA:16cCCCCNNCCCCOOCFFF/rB:s1;d2;s3;d4;s2s5;s6;s7;s8;s8;d10;s10;s4;s13;s13;s13;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C9H11F3N2O2 |
All Atoms: | 27 |
Heavy Atoms: | 16 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 6.74289 |
Area: | 383.825 |
Solvation: | -2.85274 |
Coulombic: | -49.3623 |
Bond Count [?]
All: | 16 |
Single: | 13 |
Double: | 3 |
Rotors: | 4 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 1.51 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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