Chemical ID: 7741706

c1ccc2c(c1)C(=O)CC3(O2)CCN(CC3)C(=O)c4ccc(cc4)C(F)(F)F
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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