이름: ethyl 1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-carboxylate
SMILES:
CCOC(=O)c1c(C)nn(-c2ccc(F)cc2)c1CMolecular Processing
Molecular formula
C14H15FN2O2
Molecular weight
262.28
Exact mass
262.1118
XLogP
2.8
TPSA
44.12
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
19
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
0.286
Molar refractivity
68.95
Supplementary Information
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