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Chemical ID: 7688783
Chemical ID:
7688783
Name [?]:
None
SMILES [?]:
CC1(CC2CC(C1)(CN2c3nc(cc(n3)C(F)(F)F)c4cccc(c4)OC)C)C
InChi [?]:
InChI=1/C22H26F3N3O/c1-20(2)10-15-11-21(3,12-20)13-28(15)19-26-17(9-18(27-19)22(23,24)25)14-6-5-7-16(8-14)29-4/h5-9,15H,10-13H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,29,28,27,22,21,23,25,13,3,5,7,8,20,4,24,12,14,10,2,6,16,17,18,19,11,15,9,26/E:(1,2)(23,24,25)/rA:29cCCCCCCCCNCNCCCNCFFFCCCCCCOCCC/rB:s1;s2;s3;s4;s5;s2s6;s6;s4s8;s9;s10;d11;s12;d13;d10s14;s14;s16;s16;s16;s12;s20;d21;s22;d23;d20s24;s24;s26;s6;s2;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H26F3N3O |
All Atoms: | 55 |
Heavy Atoms: | 29 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 10.7136 |
Area: | 575.536 |
Solvation: | -3.67481 |
Coulombic: | -46.8606 |
Bond Count [?]
All: | 32 |
Single: | 26 |
Double: | 6 |
Rotors: | 4 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 6.41 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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Chemical Mix | Source | External ID | Descriptor | Value |
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