ChemDB: Chemical Search
Download
Chemical ID: 7701608
Chemical ID:
7701608
Name [?]:
None
SMILES [?]:
COc1cc(ccc1OC(=O)c2ccccc2I)C(=O)OC
InChi [?]:
InChI=1/C16H13IO5/c1-20-14-9-10(15(18)21-2)7-8-13(14)22-16(19)11-5-3-4-6-12(11)17/h3-9H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,22,14,15,13,16,6,7,4,5,12,17,8,3,19,10,18,20,11,2,21,9/rA:22nCOCCCCCCOCOCCCCCCICOOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;d10;s10;s12;d13;s14;d15;d12s16;s17;s5;d19;s19;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H13IO5 |
All Atoms: | 35 |
Heavy Atoms: | 22 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 9.57015 |
Area: | 521.422 |
Solvation: | -3.4654 |
Coulombic: | -47.935 |
Bond Count [?]
All: | 23 |
Single: | 15 |
Double: | 8 |
Rotors: | 6 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 4.17 |
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 |
---|