Name: Cyclohexyl-5-trifluoromethyl-1H-pyrazole-4-carboxylic acid ethyl ester
SMILES:
CCOC(=O)c1cnn(C2CCCCC2)c1C(F)(F)FMolecular Processing
Molecular formula
C13H17F3N2O2
Molecular weight
290.28
Exact mass
290.1242
XLogP
3.58
TPSA
44.12
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
20
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.692
Molar refractivity
65.31
Supplementary Information
Details werden geladen…
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