Chemical ID: 6841155

COC(=O)COc1ccc2c(c1)oc(c(c2=O)c3cccc4c3cccc4)C(F)(F)F
Chemical ID:
6841155
Name [?]:
methyl 2-[3-(1-naphthyl)-4-oxo-2-(trifluoromethyl)chromen-7-yl]oxyacetate
SMILES [?]:
COC(=O)COc1ccc2c(c1)oc(c(c2=O)c3cccc4c3cccc4)C(F)(F)F
InChi [?]:
InChI=1/C23H15F3O5/c1-29-19(27)12-30-14-9-10-17-18(11-14)31-22(23(24,25)26)20(21(17)28)16-8-4-6-13-5-2-3-7-15(13)16/h2-11H,12H2,1H3
InChi Info:
AuxInfo=1/0/N:1,26,25,20,27,21,24,19,8,9,12,5,22,7,23,18,10,11,3,15,16,14,28,29,30,31,4,17,2,6,13/E:(24,25,26)/rA:31nCOCOCOCCCCCCOCCCOCCCCCCCCCCCFFF/rB:s1;s2;d3;s3;s5;s6;s7;d8;s9;d10;d7s11;s11;s13;d14;s10s15;d16;s15;s18;d19;s20;d21;d18s22;s23;d24;s25;s22d26;s14;s28;s28;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H15F3O5
All Atoms:46
Heavy Atoms:31
Chiral Atoms:0
ZAP Information [?]
Total:9.18532
Area:595.897
Solvation:-5.7121
Coulombic:-62.8129
Bond Count [?]
All:34
Single:23
Double:11
Rotors:6
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:428.357
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:5.36
LogP (Chemaxon):4.83

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Descriptor Annotations

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