Chemical ID: 6883764

CCc1ccc(cc1)Oc2coc3cc(ccc3c2=O)OCc4cccc(c4)Br
Chemical ID:
6883764
Name [?]:
7-[(3-bromophenyl)methoxy]-3-(4-ethylphenoxy)-chromen-4-one
SMILES [?]:
CCc1ccc(cc1)Oc2coc3cc(ccc3c2=O)OCc4cccc(c4)Br
InChi [?]:
InChI=1/C24H19BrO4/c1-2-16-6-8-19(9-7-16)29-23-15-28-22-13-20(10-11-21(22)24(23)26)27-14-17-4-3-5-18(25)12-17/h3-13,15H,2,14H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,25,24,26,4,8,5,7,16,17,28,14,22,11,3,23,27,6,15,18,13,10,19,29,20,21,12,9/E:(6,7)(8,9)/rA:29nCCCCCCCCOCCOCCCCCCCOOCCCCCCCBr/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;d10;s11;s12;s13;d14;s15;d16;d13s17;s10s18;d19;s15;s21;s22;s23;d24;s25;d26;d23s27;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H19BrO4
All Atoms:48
Heavy Atoms:29
Chiral Atoms:0
ZAP Information [?]
Total:11.5802
Area:634.022
Solvation:-4.27032
Coulombic:-34.5304
Bond Count [?]
All:32
Single:21
Double:11
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:451.309
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:6.81
LogP (Chemaxon):6.78

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Descriptor Annotations

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