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Chemical ID: 5580532
Chemical ID:
5580532
Name [?]:
N-amidino-3,5-diamino-6-chloro-pyrazine-2-carboxamide
SMILES [?]:
c1(c(nc(c(n1)Cl)N)N)C(=O)NC(=N)N
InChi [?]:
InChI=1/C6H8ClN7O/c7-2-4(9)13-3(8)1(12-2)5(15)14-6(10)11/h(H4,8,9,13)(H4,10,11,14,15)
InChi Info:
AuxInfo=1/1/N:1,5,2,4,10,13,7,9,8,14,15,6,3,12,11/E:(10,11)/rA:15nCCNCCNClNNCONCNN/rB:s1;d2;s3;d4;d1s5;s5;s4;s2;s1;d10;s10;s12;w13;s13;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C6H8ClN7O |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.15663 |
Area: | 387.812 |
Solvation: | -2.53868 |
Coulombic: | -93.8482 |
Bond Count [?]
All: | 15 |
Single: | 10 |
Double: | 5 |
Rotors: | 3 |
Chiral: | 1 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 229.627 |
H-Bond Donors: | 8 |
H-Bond Acceptors: | 6 |
XLogP: | 0.17 |
LogP (Chemaxon): | -0.09 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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