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Chemical ID: 7221431
Chemical ID:
7221431
Name [?]:
None
SMILES [?]:
Cc1cc(nn1Cc2nc3c4ccccc4ncn3n2)C(F)F
InChi [?]:
InChI=1/C15H12F2N6/c1-9-6-12(14(16)17)20-22(9)7-13-19-15-10-4-2-3-5-11(10)18-8-23(15)21-13/h2-6,8,14H,7H2,1H3
InChi Info:
AuxInfo=1/0/N:1,13,14,12,15,3,7,18,2,11,16,4,8,21,10,22,23,17,9,5,20,6,19/E:(16,17)/rA:23nCCCCNNCCNCCCCCCCNCNNCFF/rB:s1;d2;s3;d4;s2s5;s6;s7;s8;d9;s10;s11;d12;s13;d14;d11s15;s16;d17;s10s18;d8s19;s4;s21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H12F2N6 |
All Atoms: | 35 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.6606 |
Area: | 481.849 |
Solvation: | -4.38562 |
Coulombic: | -31.0978 |
Bond Count [?]
All: | 26 |
Single: | 18 |
Double: | 8 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 314.293 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 0 |
XLogP: | 2.33 |
LogP (Chemaxon): | 2.94 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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