Name: 4-chloro-1-ethyl-1H-pyrazole-3-carboxylic acid
SMILES:
CCn1cc(Cl)c(C(=O)O)n1Molecular Processing
Molecular formula
C6H7ClN2O2
Molecular weight
174.59
Exact mass
174.0196
XLogP
1.25
TPSA
55.12
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
2
Heavy atoms
11
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
39.87
Supplementary Information
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