이름: 4-pyridylacetic acid
SMILES:
O=C(O)Cc1ccncc1Molecular Processing
Molecular formula
C7H7NO2
Molecular weight
137.14
Exact mass
137.0477
XLogP
0.71
TPSA
50.19
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
2
Heavy atoms
10
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.143
Molar refractivity
35.58
Supplementary Information
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