Chemical ID: 3966677

CC1(OC2CC3C4CC(C5=CC(=O)C=CC5(C4C(CC3(C2(O1)C(=O)CO)C)O)C)F)C
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

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Descriptor Annotations

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