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Chemical ID: 7741705
Chemical ID:
7741705
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)C(=O)CC3(O2)CCN(CC3)C(=O)c4cccc(c4)C(F)(F)F
InChi [?]:
InChI=1/C21H18F3NO3/c22-21(23,24)15-5-3-4-14(12-15)19(27)25-10-8-20(9-11-25)13-17(26)16-6-1-2-7-18(16)28-20/h1-7,12H,8-11,13H2
InChi Info:
AuxInfo=1/0/N:1,2,21,20,22,6,3,12,16,13,15,24,9,19,23,5,7,4,17,10,25,26,27,28,14,8,18,11/E:(8,9)(10,11)(22,23,24)/rA:28nCCCCCCCOCCOCCNCCCOCCCCCCCFFF/rB:s1;d2;s3;d4;d1s5;s5;d7;s7;s9;s4s10;s10;s12;s13;s14;s10s15;s14;d17;s17;s19;d20;s21;d22;d19s23;s23;s25;s25;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H18F3NO3 |
All Atoms: | 46 |
Heavy Atoms: | 28 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 9.44477 |
Area: | 543.948 |
Solvation: | -4.15393 |
Coulombic: | -52.6223 |
Bond Count [?]
All: | 31 |
Single: | 23 |
Double: | 8 |
Rotors: | 3 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 4.22 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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