Name: 3,5-Diamino-6-chloro-pyrazine-2-carboxylic acid [1,3,8-triaza-spiro[4.5]dec-(2E)-ylidene]-amide hydrochloride
SMILES:
Cl.Nc1nc(N)c(C(=O)/N=C2\NCC3(CCNCC3)N2)nc1ClMolecular Processing
Molecular formula
C12H18Cl2N8O
Molecular weight
361.24
Exact mass
360.0981
XLogP
-0.47
TPSA
143.34
H-bond donors
5
H-bond acceptors
6
Rotatable bonds
1
Heavy atoms
23
Rings
3
Aromatic rings
1
Saturated rings
2
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
11
Covalent units
2
Fraction Csp3
0.5
Molar refractivity
90.85
Supplementary Information
Details werden geladen…
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