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Chemical ID: 7221532
Chemical ID:
7221532
Name [?]:
None
SMILES [?]:
Cc1cc(nn1CC(C)c2nc3c4ccccc4ncn3n2)C(F)(F)F
InChi [?]:
InChI=1/C17H15F3N6/c1-10(8-25-11(2)7-14(23-25)17(18,19)20)15-22-16-12-5-3-4-6-13(12)21-9-26(16)24-15/h3-7,9-10H,8H2,1-2H3
InChi Info:
AuxInfo=1/0/N:9,1,15,16,14,17,3,7,20,8,2,13,18,4,10,12,23,24,25,26,19,11,5,22,6,21/E:(18,19,20)/rA:26cCCCCNNCCCCNCCCCCCCNCNNCFFF/rB:s1;d2;s3;d4;s2s5;s6;s7;s8;s8;s10;d11;s12;s13;d14;s15;d16;d13s17;s18;d19;s12s20;d10s21;s4;s23;s23;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H15F3N6 |
All Atoms: | 41 |
Heavy Atoms: | 26 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 10.3504 |
Area: | 531.281 |
Solvation: | -2.93163 |
Coulombic: | -41.1842 |
Bond Count [?]
All: | 29 |
Single: | 21 |
Double: | 8 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 360.337 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 0 |
XLogP: | 3.1 |
LogP (Chemaxon): | 4.5 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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