ChemDB: Chemical Search
Download
Chemical ID: 3966690
Chemical ID:
3966690
Name [?]:
None
SMILES [?]:
CC1(OC2CC3C4CC(C5=CC(=O)CCC5(C4C(CC3(C2(O1)C(=O)CO)C)O)C)F)C
InChi [?]:
InChI=1/C24H33FO6/c1-21(2)30-19-9-14-13-8-16(25)15-7-12(27)5-6-22(15,3)20(13)17(28)10-23(14,4)24(19,31-21)18(29)11-26/h7,13-14,16-17,19-20,26,28H,5-6,8-11H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,31,29,27,14,15,11,8,5,19,25,12,7,6,10,9,18,23,4,17,2,16,20,21,30,26,13,28,24,3,22/E:(1,2)/rA:31cCCOCCCCCCCCCOCCCCCCCCOCOCOCOCFC/rB:s1;s2;s3;s4;s5;s6;s7;s8;s9;d10;s11;d12;s12;s14;s10s15;s7s16;s17;s18;s6s19;s4s20;s2s21;s21;d23;s23;s25;s20;s18;s16;s9;s2;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H33FO6 |
All Atoms: | 31 |
Heavy Atoms: | 31 |
Chiral Atoms: | 9 |
ZAP Information [?]
Total: | 6.68956 |
Area: | 575.124 |
Solvation: | -7.68855 |
Coulombic: | -70.8511 |
Bond Count [?]
All: | 35 |
Single: | 32 |
Double: | 3 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 436.514 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | 0.62 |
LogP (Chemaxon): | 2.67 |
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 |
---|