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Chemical ID: 7667438
Chemical ID:
7667438
Name [?]:
None
SMILES [?]:
COc1ccc(cc1OC)CC2c3cc(c(cc3CCN2C(=O)c4cccc(c4)C(F)(F)F)OC)OC
InChi [?]:
InChI=1/C28H28F3NO5/c1-34-23-9-8-17(13-24(23)35-2)12-22-21-16-26(37-4)25(36-3)15-18(21)10-11-32(22)27(33)19-6-5-7-20(14-19)28(29,30)31/h5-9,13-16,22H,10-12H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,10,35,37,26,25,27,5,4,19,20,11,7,29,17,14,6,18,24,28,13,12,3,8,16,15,22,30,31,32,33,21,23,2,9,34,36/E:(29,30,31)/rA:37cCOCCCCCCOCCCCCCCCCCCNCOCCCCCCCFFFOCOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s6;s11;s12;s13;d14;s15;d16;d13s17;s18;s19;s12s20;s21;d22;s22;s24;d25;s26;d27;d24s28;s28;s30;s30;s30;s16;s34;s15;s36;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C28H28F3NO5 |
All Atoms: | 65 |
Heavy Atoms: | 37 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 7.13371 |
Area: | 668.722 |
Solvation: | -9.58435 |
Coulombic: | -65.1424 |
Bond Count [?]
All: | 40 |
Single: | 30 |
Double: | 10 |
Rotors: | 9 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 5.14 |
LogP (Chemaxon): | None |
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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