ChemDB: Chemical Search
Download
Chemical ID: 6424152
Chemical ID:
6424152
Name [?]:
None
SMILES [?]:
CC(=CCOc1c2c(ccc(=O)o2)c(c3c1occ3)OC)C
InChi [?]:
InChI=1/C17H16O5/c1-10(2)6-8-21-17-15-12(7-9-20-15)14(19-3)11-4-5-13(18)22-16(11)17/h4-7,9H,8H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,22,21,9,10,3,19,4,18,2,8,15,11,14,16,7,6,12,20,17,5,13/E:(1,2)/rA:22nCCCCOCCCCCCOOCCCOCCOCC/rB:s1;d2;s3;s4;s5;s6;d7;s8;d9;s10;d11;s7s11;s8;d14;d6s15;s16;s17;s15d18;s14;s20;s2;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H16O5 |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.90106 |
Area: | 491.704 |
Solvation: | -5.39153 |
Coulombic: | -40.8619 |
Bond Count [?]
All: | 24 |
Single: | 17 |
Double: | 7 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 300.306 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 2.85 |
LogP (Chemaxon): | 3.43 |
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 |
---|