Chemical ID: 4571113

Cc1c2cc3c4c(oc3c(c2oc(=O)c1CCC(=O)O)C)CCCC4
Chemical ID:
4571113
Name [?]:
None
SMILES [?]:
Cc1c2cc3c4c(oc3c(c2oc(=O)c1CCC(=O)O)C)CCCC4
InChi [?]:
InChI=1/C20H20O5/c1-10-12(7-8-17(21)22)20(23)25-18-11(2)19-15(9-14(10)18)13-5-3-4-6-16(13)24-19/h9H,3-8H2,1-2H3,(H,21,22)
InChi Info:
AuxInfo=1/1/N:1,21,24,23,25,22,16,17,4,2,10,15,6,3,5,7,18,11,9,13,19,20,14,8,12/E:(21,22)/rA:25nCCCCCCCOCCCOCOCCCCOOCCCCC/rB:s1;s2;s3;d4;s5;d6;s7;s5s8;d9;d3s10;s11;s12;d13;d2s13;s15;s16;s17;d18;s18;s10;s7;s22;s23;s6s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H20O5
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:9.3728
Area:530.883
Solvation:-3.89928
Coulombic:-50.9795
Bond Count [?]
All:28
Single:21
Double:7
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:340.37
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:2.67
LogP (Chemaxon):4.5

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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