Chemical ID: 4745439

c1cc2c(c(c1)F)c(nc3n2nnc3C#N)N
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

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Experimental Annotations

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Descriptor Annotations

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