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Chemical ID: 4789762
Chemical ID:
4789762
Name [?]:
4,6-diamino-1,3,5-triazine-2-carboxylic acid
SMILES [?]:
c1(nc(nc(n1)N)N)C(=O)O
InChi [?]:
InChI=1/C4H5N5O2/c5-3-7-1(2(10)11)8-4(6)9-3/h(H,10,11)(H4,5,6,7,8,9)
InChi Info:
AuxInfo=1/1/N:1,9,3,5,8,7,2,6,4,10,11/E:(3,4)(5,6)(7,8)(10,11)/rA:11nCNCNCNNNCOO/rB:s1;d2;s3;d4;d1s5;s5;s3;s1;d9;s9;/rC:;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C4H5N5O2 |
All Atoms: | 11 |
Heavy Atoms: | 11 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 5.79302 |
Area: | 305.334 |
Solvation: | -1.84034 |
Coulombic: | -80.0465 |
Bond Count [?]
All: | 11 |
Single: | 7 |
Double: | 4 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 155.115 |
H-Bond Donors: | 5 |
H-Bond Acceptors: | 4 |
XLogP: | -3.74 |
LogP (Chemaxon): | -2.66 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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