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Chemical ID: 5160995
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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