이름: pyrimidine-4-carboxylic acid
SMILES:
O=C(O)c1ccncn1Molecular Processing
Molecular formula
C5H4N2O2
Molecular weight
124.1
Exact mass
124.0273
XLogP
0.17
TPSA
63.08
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
9
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0
Molar refractivity
28.99
Supplementary Information
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