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Chemical ID: 4558287
Chemical ID:
4558287
Name [?]:
2-amino-3H-pteridin-4-one
SMILES [?]:
c1cnc2c(n1)c(=O)[nH]c(n2)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:1,2,5,4,7,10,12,6,3,11,9,8/rA:12nCCNCCNCONCNN/rB:s1;d2;s3;d4;d1s5;s5;d7;s7;s9;s4d10;s10;/rC:;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C6H5N5O |
All Atoms: | 12 |
Heavy Atoms: | 12 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 5.10038 |
Area: | 303.591 |
Solvation: | -2.4894 |
Coulombic: | -53.3297 |
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: | -0.83 |
LogP (Chemaxon): | -0.99 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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