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Chemical ID: 5283641
Chemical ID:
5283641
Name [?]:
None
SMILES [?]:
Cc1nc2c3cnn(c3ncn2n1)c4ccc(cc4)F
InChi [?]:
InChI=1/C13H9FN6/c1-8-17-13-11-6-16-20(10-4-2-9(14)3-5-10)12(11)15-7-19(13)18-8/h2-7H,1H3
InChi Info:
AuxInfo=1/0/N:1,16,18,15,19,6,11,2,17,14,5,9,4,20,10,7,3,13,12,8/E:(2,3)(4,5)/rA:20nCCNCCCNNCNCNNCCCCCCF/rB:s1;s2;d3;s4;s5;d6;s7;d5s8;s9;d10;s4s11;d2s12;s8;s14;d15;s16;d17;d14s18;s17;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H9FN6 |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.82987 |
Area: | 428.754 |
Solvation: | -2.88898 |
Coulombic: | -24.6613 |
Bond Count [?]
All: | 23 |
Single: | 15 |
Double: | 8 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 268.249 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 0 |
XLogP: | 1.91 |
LogP (Chemaxon): | 2.95 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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