ChemDB: Chemical Search
Download
Chemical ID: 4559230
Chemical ID:
4559230
Name [?]:
None
SMILES [?]:
Cc1cc2c(c3c(c(=O)o2)CCCC3)c4c1c(co4)C
InChi [?]:
InChI=1/C17H16O3/c1-9-7-13-15(16-14(9)10(2)8-19-16)11-5-3-4-6-12(11)17(18)20-13/h7-8H,3-6H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,20,13,12,14,11,3,18,2,17,6,7,4,16,5,15,8,9,19,10/rA:20nCCCCCCCCOOCCCCCCCCOC/rB:s1;s2;d3;s4;s5;d6;s7;d8;s4s8;s7;s11;s12;s6s13;d5;d2s15;s16;d17;s15s18;s17;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H16O3 |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.32938 |
Area: | 422.187 |
Solvation: | -2.22529 |
Coulombic: | -26.6158 |
Bond Count [?]
All: | 23 |
Single: | 17 |
Double: | 6 |
Rotors: | 0 |
Chiral: | 0 |
Rigid Segments: | 1 |
Chemical Properties
Molecular Weight: | 268.307 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 3.49 |
LogP (Chemaxon): | 4.85 |
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 |
---|