Name: 4-chloro-1-ethyl-6-methyl-1H-pyrazolo[3,4-b]pyridine-5-carboxylic acid ethyl ester
SMILES:
CCOC(=O)c1c(C)nc2c(cnn2CC)c1ClMolecular Processing
Molecular formula
C12H14ClN3O2
Molecular weight
267.72
Exact mass
267.0775
XLogP
2.59
TPSA
57.01
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
18
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.417
Molar refractivity
68.91
Supplementary Information
Details werden geladen…
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