ChemDB: Chemical Search
Download
Chemical ID: 7699092
Chemical ID:
7699092
Name [?]:
None
SMILES [?]:
COc1cc(c(cc1OC)OC)C(=O)Oc2ccccc2O
InChi [?]:
InChI=1/C16H16O6/c1-19-13-9-15(21-3)14(20-2)8-10(13)16(18)22-12-7-5-4-6-11(12)17/h4-9,17H,1-3H3
InChi Info:
AuxInfo=1/0/N:12,1,10,19,18,20,17,4,7,5,21,16,6,3,8,13,22,14,11,2,9,15/rA:22nCOCCCCCCOCOCCOOCCCCCCO/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s6;s11;s5;d13;s13;s15;s16;d17;s18;d19;d16s20;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H16O6 |
All Atoms: | 38 |
Heavy Atoms: | 22 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 5.23878 |
Area: | 488.393 |
Solvation: | -6.97104 |
Coulombic: | -56.181 |
Bond Count [?]
All: | 23 |
Single: | 16 |
Double: | 7 |
Rotors: | 6 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 2.6 |
LogP (Chemaxon): | None |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical | Mix Source | External ID | Descriptor | Value |
---|
Experimental Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|
Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|