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Chemical ID: 6694068
Chemical ID:
6694068
Name [?]:
2-amino-8H-pteridin-4-one
SMILES [?]:
c1cnc-2c(=O)nc(nc2[nH]1)N
InChi [?]:
InChI=1/C6H5N5O/c7-6-10-4-3(5(12)11-6)8-1-2-9-4/h1-2H,(H3,7,9,10,11,12)
InChi Info:
AuxInfo=1/1/N:2,1,4,10,5,8,12,3,11,9,7,6/rA:12nCCNCCONCNCNN/rB:d1;s2;d3;s4;d5;s5;d7;s8;s4d9;s1s10;s8;/rC:;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C6H5N5O |
All Atoms: | 12 |
Heavy Atoms: | 12 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 5.50492 |
Area: | 303.865 |
Solvation: | -2.09169 |
Coulombic: | -54.919 |
Bond Count [?]
All: | 13 |
Single: | 8 |
Double: | 5 |
Rotors: | 0 |
Chiral: | 0 |
Rigid Segments: | 1 |
Chemical Properties
Molecular Weight: | 163.137 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 2 |
XLogP: | -1.67 |
LogP (Chemaxon): | -0.03 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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