ChemDB: Chemical Search
Download
Chemical ID: 7649104
Chemical ID:
7649104
Name [?]:
None
SMILES [?]:
COc1cc2c(cc1OC)C(=C3C(C2)COC3=O)c4ccc5c(c4)OCO5
InChi [?]:
InChI=1/C21H18O6/c1-23-16-7-12-5-13-9-25-21(22)20(13)19(14(12)8-17(16)24-2)11-3-4-15-18(6-11)27-10-26-15/h3-4,6-8,13H,5,9-10H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,10,20,21,14,24,4,7,15,26,19,5,13,6,22,3,8,23,11,12,17,18,2,9,16,27,25/rA:27cCOCCCCCCOCCCCCCOCOCCCCCCOCO/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s6;d11;s12;s5s13;s13;s15;s12s16;d17;s11;s19;d20;s21;d22;d19s23;s23;s25;s22s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H18O6 |
All Atoms: | 45 |
Heavy Atoms: | 27 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 5.27407 |
Area: | 535.106 |
Solvation: | -8.10359 |
Coulombic: | -48.0511 |
Bond Count [?]
All: | 31 |
Single: | 23 |
Double: | 8 |
Rotors: | 3 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 2.89 |
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 |
---|