Name: 4-bromo-5-(4-chloro-1-methyl-1H-pyrazol-5-yl)-2-thiophenecarboxylic acid
SMILES:
Cn1ncc(Cl)c1-c1sc(C(=O)O)cc1BrMolecular Processing
Molecular formula
C9H6BrClN2O2S
Molecular weight
321.58
Exact mass
319.9022
XLogP
3.26
TPSA
55.12
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
16
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
0.111
Molar refractivity
66.19
Supplementary Information
Details werden geladen…
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