ChemDB: Chemical Search
Download
Chemical ID: 6918702
Chemical ID:
6918702
Name [?]:
None
SMILES [?]:
CC(C)(C1Cc2c(ccc3c2oc(=O)cc3)O1)O
InChi [?]:
InChI=1/C14H14O4/c1-14(2,16)11-7-9-10(17-11)5-3-8-4-6-12(15)18-13(8)9/h3-6,11,16H,7H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,3,9,16,8,15,5,10,6,7,4,13,11,2,14,18,17,12/E:(1,2)/rA:18cCCCCCCCCCCCOCOCCOO/rB:s1;s2;s2;s4;s5;s6;d7;s8;d9;d6s10;s11;s12;d13;s13;s10d15;s4s7;s2;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H14O4 |
All Atoms: | 32 |
Heavy Atoms: | 18 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 5.93774 |
Area: | 408.829 |
Solvation: | -4.28298 |
Coulombic: | -42.4931 |
Bond Count [?]
All: | 20 |
Single: | 15 |
Double: | 5 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 246.259 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 1.74 |
LogP (Chemaxon): | 1.96 |
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 |
---|