Chemical ID: 4789762

c1(nc(nc(n1)N)N)C(=O)O
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

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Descriptor Annotations

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