Название: ethyl 1-(4-methoxybenzyl)-1H-pyrazole-4-carboxylate
SMILES:
CCOC(=O)c1cnn(Cc2ccc(OC)cc2)c1Molecular Processing
Molecular formula
C14H16N2O3
Molecular weight
260.29
Exact mass
260.1161
XLogP
2.12
TPSA
53.35
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
19
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.286
Molar refractivity
70.28
Supplementary Information
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