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Chemical ID: 4745439
Chemical ID:
4745439
Name [?]:
None
SMILES [?]:
c1cc2c(c(c1)F)c(nc3n2nnc3C#N)N
InChi [?]:
InChI=1/C10H5FN6/c11-5-2-1-3-7-8(5)9(13)14-10-6(4-12)15-16-17(7)10/h1-3H,(H2,13,14)
InChi Info:
AuxInfo=1/1/N:1,6,2,15,5,14,3,4,8,10,7,16,17,9,13,12,11/rA:17nCCCCCCFCNCNNNCCNN/rB:s1;d2;s3;d4;d1s5;s5;s4;d8;s9;s3s10;s11;d12;d10s13;s14;t15;s8;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H5FN6 |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.36268 |
Area: | 378.429 |
Solvation: | -2.09805 |
Coulombic: | -34.9817 |
Bond Count [?]
All: | 19 |
Single: | 12 |
Double: | 6 |
Rotors: | 0 |
Chiral: | 0 |
Rigid Segments: | 1 |
Chemical Properties
Molecular Weight: | 228.186 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 2 |
XLogP: | 0.37 |
LogP (Chemaxon): | 1.95 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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