Chemical ID: 7530242

c1ccc2c(c1)ccc3c2c(co3)CC(=O)Nc4ccc(cc4)C(F)(F)F
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

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue