Chemical ID: 4567242

Cc1c2cc3c(cc2oc(=O)c1CC(=O)O)occ3c4ccc(cc4)OC
Chemical ID:
4567242
Name [?]:
None
SMILES [?]:
Cc1c2cc3c(cc2oc(=O)c1CC(=O)O)occ3c4ccc(cc4)OC
InChi [?]:
InChI=1/C21H16O6/c1-11-14-7-16-17(12-3-5-13(25-2)6-4-12)10-26-18(16)9-19(14)27-21(24)15(11)8-20(22)23/h3-7,9-10H,8H2,1-2H3,(H,22,23)
InChi Info:
AuxInfo=1/1/N:1,27,21,25,22,24,4,13,7,18,2,20,23,3,12,5,19,6,8,14,10,15,16,11,26,17,9/E:(3,4)(5,6)(22,23)/rA:27nCCCCCCCCOCOCCCOOOCCCCCCCCOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;d10;d2s10;s12;s13;d14;s14;s6;s17;s5d18;s19;s20;d21;s22;d23;d20s24;s23;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H16O6
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:8.21182
Area:555.828
Solvation:-5.68389
Coulombic:-57.979
Bond Count [?]
All:30
Single:20
Double:10
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:364.348
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:3.29
LogP (Chemaxon):4.22

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Descriptor Annotations

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