Chemical ID: 5160995

Cc1c(c2cc3c(cc2o1)c(c(o3)C)C(=O)O)C(=O)O
Chemical ID:
5160995
Name [?]:
None
SMILES [?]:
Cc1c(c2cc3c(cc2o1)c(c(o3)C)C(=O)O)C(=O)O
InChi [?]:
InChI=1/C14H10O6/c1-5-11(13(15)16)7-3-10-8(4-9(7)19-5)12(14(17)18)6(2)20-10/h3-4H,1-2H3,(H,15,16)(H,17,18)
InChi Info:
AuxInfo=1/1/N:1,14,5,8,2,12,4,7,9,6,3,11,18,15,19,20,16,17,10,13/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16,17,18)(19,20)/gE:(1,2)/rA:20nCCCCCCCCCOCCOCCOOCOO/rB:s1;d2;s3;s4;d5;s6;d7;d4s8;s2s9;s7;d11;s6s12;s12;s11;d15;s15;s3;d18;s18;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H10O6
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:7.4217
Area:451.981
Solvation:-3.87783
Coulombic:-66.6099
Bond Count [?]
All:22
Single:15
Double:7
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:274.226
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:1.65
LogP (Chemaxon):2.26

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Descriptor Annotations

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