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Chemical ID: 3966861
Chemical ID:
3966861
Name [?]:
None
SMILES [?]:
CC1(OC2CC3C4CCC5=CC(=O)CCC5(C4(C(CC3(C2(O1)C(=O)CCl)C)O)F)C)C
InChi [?]:
InChI=1/C24H32ClFO5/c1-20(2)30-19-10-16-15-6-5-13-9-14(27)7-8-21(13,3)23(15,26)17(28)11-22(16,4)24(19,31-20)18(29)12-25/h9,15-17,19,28H,5-8,10-12H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,31,30,27,9,8,14,15,11,5,19,25,10,12,7,6,18,23,4,2,16,20,17,21,26,29,13,28,24,3,22/E:(1,2)/rA:31cCCOCCCCCCCCCOCCCCCCCCOCOCClCOFCC/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;s17;s16;s2;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H32ClFO5 |
All Atoms: | 31 |
Heavy Atoms: | 31 |
Chiral Atoms: | 8 |
ZAP Information [?]
Total: | 8.58193 |
Area: | 587.616 |
Solvation: | -6.10847 |
Coulombic: | -55.8113 |
Bond Count [?]
All: | 35 |
Single: | 32 |
Double: | 3 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 454.959 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 1.99 |
LogP (Chemaxon): | 3.93 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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