名称: 5-[5-(1-Methoxy-ethyl)-[1,2,4]triazol-1-yl]-4′-methyl-biphenyl-3-carboxylic acid
SMILES:
COC(C)c1ncnn1-c1cc(C(=O)O)cc(-c2ccc(C)cc2)c1Molecular Processing
Molecular formula
C19H19N3O3
Molecular weight
337.38
Exact mass
337.1426
XLogP
3.65
TPSA
77.24
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
25
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.211
Molar refractivity
93.92
Supplementary Information
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