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Chemical ID: 7530242
Chemical ID:
7530242
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)ccc3c2c(co3)CC(=O)Nc4ccc(cc4)C(F)(F)F
InChi [?]:
InChI=1/C21H14F3NO2/c22-21(23,24)15-6-8-16(9-7-15)25-19(26)11-14-12-27-18-10-5-13-3-1-2-4-17(13)20(14)18/h1-10,12H,11H2,(H,25,26)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,7,20,22,19,23,8,14,12,5,11,21,18,4,9,15,10,24,25,26,27,17,16,13/E:(6,7)(8,9)(22,23,24)/rA:27nCCCCCCCCCCCCOCCONCCCCCCCFFF/rB:s1;d2;s3;s4;d1s5;d5;s7;d8;d4s9;s10;d11;s9s12;s11;s14;d15;s15;s17;s18;d19;s20;d21;d18s22;s21;s24;s24;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H14F3NO2 |
All Atoms: | 41 |
Heavy Atoms: | 27 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 9.02308 |
Area: | 536.215 |
Solvation: | -4.38228 |
Coulombic: | -46.5936 |
Bond Count [?]
All: | 30 |
Single: | 20 |
Double: | 10 |
Rotors: | 5 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 4.96 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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