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Chemical ID: 5817278
Chemical ID:
5817278
Name [?]:
3,5-diamino-6-chloro-pyrazine-2-carboxamide
SMILES [?]:
c1(c(nc(c(n1)Cl)N)N)C(=O)N
InChi [?]:
InChI=1/C5H6ClN5O/c6-2-4(8)11-3(7)1(10-2)5(9)12/h(H2,9,12)(H4,7,8,11)
InChi Info:
AuxInfo=1/1/N:1,5,2,4,10,7,9,8,12,6,3,11/rA:12nCCNCCNClNNCON/rB:s1;d2;s3;d4;d1s5;s5;s4;s2;s1;d10;s10;/rC:;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C5H6ClN5O |
All Atoms: | 12 |
Heavy Atoms: | 12 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.77766 |
Area: | 330.939 |
Solvation: | -1.49581 |
Coulombic: | -72.3662 |
Bond Count [?]
All: | 12 |
Single: | 8 |
Double: | 4 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 187.587 |
H-Bond Donors: | 6 |
H-Bond Acceptors: | 4 |
XLogP: | -0.06 |
LogP (Chemaxon): | -0.16 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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