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Chemical ID: 7611532
Chemical ID:
7611532
Name [?]:
None
SMILES [?]:
COc1cc2c(c3c1c4c(c(=O)o3)C(=O)CC4)C5CC(OC5O2)O
InChi [?]:
InChI=1/C17H14O7/c1-21-9-5-10-14(7-4-11(19)23-17(7)22-10)15-13(9)6-2-3-8(18)12(6)16(20)24-15/h5,7,11,17,19H,2-4H2,1H3
InChi Info:
AuxInfo=1/0/N:1,17,16,19,4,9,18,14,3,5,20,10,8,6,7,11,22,15,24,12,2,23,21,13/rA:24cCOCCCCCCCCCOOCOCCCCCOCOO/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;d9;s10;d11;s7s11;s10;d14;s14;s9s16;s6;s18;s19;s20;s18s21;s5s22;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H14O7 |
All Atoms: | 38 |
Heavy Atoms: | 24 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 4.5929 |
Area: | 481.414 |
Solvation: | -7.44244 |
Coulombic: | -62.2695 |
Bond Count [?]
All: | 28 |
Single: | 22 |
Double: | 6 |
Rotors: | 1 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 0.27 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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