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Chemical ID: 7677991
Chemical ID:
7677991
Name [?]:
None
SMILES [?]:
Cc1ccc(cc1)n2c3c(c(=O)n(cn3)CC(=O)Nc4ccccc4C(F)(F)F)nn2
InChi [?]:
InChI=1/C20H15F3N6O2/c1-12-6-8-13(9-7-12)29-18-17(26-27-29)19(31)28(11-24-18)10-16(30)25-15-5-3-2-4-14(15)20(21,22)23/h2-9,11H,10H2,1H3,(H,25,30)
InChi Info:
AuxInfo=1/1/N:1,23,22,24,21,3,7,4,6,16,14,2,5,25,20,17,10,9,11,26,27,28,29,15,19,30,31,13,8,18,12/E:(6,7)(8,9)(21,22,23)/rA:31nCCCCCCCNCCCONCNCCONCCCCCCCFFFNN/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;d9;s10;d11;s11;s13;s9d14;s13;s16;d17;s17;s19;s20;d21;s22;d23;d20s24;s25;s26;s26;s26;s10;s8d30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H15F3N6O2 |
All Atoms: | 46 |
Heavy Atoms: | 31 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 10.8686 |
Area: | 606.326 |
Solvation: | -4.2896 |
Coulombic: | -67.3325 |
Bond Count [?]
All: | 34 |
Single: | 23 |
Double: | 11 |
Rotors: | 6 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 2.57 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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