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Chemical ID: 7741706
Chemical ID:
7741706
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)C(=O)CC3(O2)CCN(CC3)C(=O)c4ccc(cc4)C(F)(F)F
InChi [?]:
InChI=1/C21H18F3NO3/c22-21(23,24)15-7-5-14(6-8-15)19(27)25-11-9-20(10-12-25)13-17(26)16-3-1-2-4-18(16)28-20/h1-8H,9-13H2
InChi Info:
AuxInfo=1/0/N:1,2,6,3,20,24,21,23,12,16,13,15,9,19,22,5,7,4,17,10,25,26,27,28,14,8,18,11/E:(5,6)(7,8)(9,10)(11,12)(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;s22;s25;s25;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H18F3NO3 |
All Atoms: | 46 |
Heavy Atoms: | 28 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 9.45973 |
Area: | 544.73 |
Solvation: | -4.15852 |
Coulombic: | -52.7589 |
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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