Chemical ID: 4567392

Cc1coc2c1cc3c(c(c(=O)oc3c2C)CC(=O)O)C
Chemical ID:
4567392
Name [?]:
None
SMILES [?]:
Cc1coc2c1cc3c(c(c(=O)oc3c2C)CC(=O)O)C
InChi [?]:
InChI=1/C16H14O5/c1-7-6-20-14-9(3)15-11(4-10(7)14)8(2)12(5-13(17)18)16(19)21-15/h4,6H,5H2,1-3H3,(H,17,18)
InChi Info:
AuxInfo=1/1/N:1,21,16,7,17,3,2,9,15,6,8,10,18,5,14,11,19,20,12,4,13/E:(17,18)/rA:21nCCCOCCCCCCCOOCCCCCOOC/rB:s1;d2;s3;s4;s2s5;d6;s7;s8;d9;s10;d11;s11;d8s13;d5s14;s15;s10;s17;d18;s18;s9;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H14O5
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:7.36698
Area:456.648
Solvation:-4.04922
Coulombic:-50.1013
Bond Count [?]
All:23
Single:16
Double:7
Rotors:2
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:286.279
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:1.89
LogP (Chemaxon):3.72

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Descriptor Annotations

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