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Chemical ID: 3966677
Chemical ID:
3966677
Name [?]:
None
SMILES [?]:
CC1(OC2CC3C4CC(C5=CC(=O)C=CC5(C4C(CC3(C2(O1)C(=O)CO)C)O)C)F)C
InChi [?]:
InChI=1/C24H31FO6/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/h5-7,13-14,16-17,19-20,26,28H,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;d14;s10s15;s7s16;s17;s18;s6s19;s4s20;s2s21;s21;d23;s23;s25;s20;s18;s16;s9;s2;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H31FO6 |
All Atoms: | 31 |
Heavy Atoms: | 31 |
Chiral Atoms: | 9 |
ZAP Information [?]
Total: | 6.4112 |
Area: | 571.728 |
Solvation: | -7.882 |
Coulombic: | -71.9316 |
Bond Count [?]
All: | 35 |
Single: | 31 |
Double: | 4 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 434.498 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | 1.12 |
LogP (Chemaxon): | 2.25 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
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