Chemical ID: 4567625

COc1ccc(cc1)c2cc(=O)oc3c2cc4c(c3)oc5c4CCCC5
Chemical ID:
4567625
Name [?]:
None
SMILES [?]:
COc1ccc(cc1)c2cc(=O)oc3c2cc4c(c3)oc5c4CCCC5
InChi [?]:
InChI=1/C22H18O4/c1-24-14-8-6-13(7-9-14)16-11-22(23)26-21-12-20-17(10-18(16)21)15-4-2-3-5-19(15)25-20/h6-12H,2-5H2,1H3
InChi Info:
AuxInfo=1/0/N:1,24,25,23,26,5,7,4,8,16,10,19,6,3,22,9,17,15,21,18,14,11,12,2,20,13/E:(6,7)(8,9)/rA:26nCOCCCCCCCCCOOCCCCCCOCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;d9;s10;d11;s11;s13;s9s14;d15;s16;d17;d14s18;s18;s20;s17d21;s22;s23;s24;s21s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H18O4
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:9.03127
Area:534.722
Solvation:-4.33678
Coulombic:-33.3428
Bond Count [?]
All:30
Single:21
Double:9
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:346.376
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:4.35
LogP (Chemaxon):4.97

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Experimental Annotations

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Descriptor Annotations

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