Name: 3-(1-thyminyl)propanoic acid
SMILES:
Cc1cn(CCC(=O)O)c(=O)[nH]c1=OMolecular Processing
Molecular formula
C8H10N2O4
Molecular weight
198.18
Exact mass
198.0641
XLogP
-0.68
TPSA
92.16
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
14
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.375
Molar refractivity
48.31
Supplementary Information
Details werden geladen…
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