Chemical ID: 4389364

CC(C(=O)OC)Oc1ccc2c(c1)oc(c(c2=O)Oc3ccc4ccccc4c3)C(F)(F)F
Chemical ID:
4389364
Name [?]:
methyl 2-[3-(2-naphthyloxy)-4-oxo-2-(trifluoromethyl)chromen-7-yl]oxypropanoate
SMILES [?]:
CC(C(=O)OC)Oc1ccc2c(c1)oc(c(c2=O)Oc3ccc4ccccc4c3)C(F)(F)F
InChi [?]:
InChI=1/C24H17F3O6/c1-13(23(29)30-2)31-17-9-10-18-19(12-17)33-22(24(25,26)27)21(20(18)28)32-16-8-7-14-5-3-4-6-15(14)11-16/h3-13H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,6,25,26,24,27,22,21,9,10,29,13,2,23,28,20,8,11,12,17,16,15,3,30,31,32,33,18,4,5,7,19,14/E:(25,26,27)/rA:33cCCCOOCOCCCCCCOCCCOOCCCCCCCCCCCFFF/rB:s1;s2;d3;s3;s5;s2;s7;s8;d9;s10;d11;d8s12;s12;s14;d15;s11s16;d17;s16;s19;s20;d21;s22;s23;d24;s25;d26;d23s27;d20s28;s15;s30;s30;s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H17F3O6
All Atoms:33
Heavy Atoms:33
Chiral Atoms:1
ZAP Information [?]
Total:9.91349
Area:632.259
Solvation:-5.89298
Coulombic:-71.4331
Bond Count [?]
All:36
Single:25
Double:11
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:458.383
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:5.83
LogP (Chemaxon):5.11

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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