Name: 5-amino-1-(5-carboxy-2-methyl-phenyl)-1H-pyrazole-4-carboxylic acid ethyl ester
SMILES:
CCOC(=O)c1cnn(-c2cc(C(=O)O)ccc2C)c1NMolecular Processing
Molecular formula
C14H15N3O4
Molecular weight
289.29
Exact mass
289.1063
XLogP
1.64
TPSA
107.44
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
21
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.214
Molar refractivity
75.63
Supplementary Information
Details werden geladen…
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