Chemical ID: 4564612

Cc1coc2c1cc3c(c(c(=O)oc3c2)CCC(=O)O)C
Chemical ID:
4564612
Name [?]:
None
SMILES [?]:
Cc1coc2c1cc3c(c(c(=O)oc3c2)CCC(=O)O)C
InChi [?]:
InChI=1/C16H14O5/c1-8-7-20-13-6-14-12(5-11(8)13)9(2)10(16(19)21-14)3-4-15(17)18/h5-7H,3-4H2,1-2H3,(H,17,18)
InChi Info:
AuxInfo=1/1/N:1,21,16,17,7,15,3,2,9,10,6,8,5,14,18,11,19,20,12,4,13/E:(17,18)/rA:21nCCCOCCCCCCCOOCCCCCOOC/rB:s1;d2;s3;s4;s2s5;d6;s7;s8;d9;s10;d11;s11;d8s13;d5s14;s10;s16;s17;d18;s18;s9;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H14O5
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:7.62775
Area:468.541
Solvation:-4.08579
Coulombic:-50.3644
Bond Count [?]
All:23
Single:16
Double:7
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:286.279
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:1.83
LogP (Chemaxon):3.65

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