이름: 5-chloro-1-cyclobutyl-1H-pyrazole-4-carboxylic acid ethyl ester
SMILES:
CCOC(=O)c1cnn(C2CCC2)c1ClMolecular Processing
Molecular formula
C10H13ClN2O2
Molecular weight
228.68
Exact mass
228.0666
XLogP
2.44
TPSA
44.12
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
15
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.6
Molar refractivity
56.08
Supplementary Information
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