Name: 4-(1,4-dimethyl-1H-pyrazol-5-yl)-5-ethyl-2-thiophenecarboxylic acid
SMILES:
CCc1sc(C(=O)O)cc1-c1c(C)cnn1CMolecular Processing
Molecular formula
C12H14N2O2S
Molecular weight
250.32
Exact mass
250.0776
XLogP
2.72
TPSA
55.12
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
17
Rings
2
Aromatic rings
2
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
67.6
Supplementary Information
Details werden geladen…
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