이름: 4-Fluoro-5-(2-methoxy-5-nitro-phenyl)-1-methyl-1H-pyrazole
SMILES:
COc1ccc([N+](=O)[O-])cc1-c1c(F)cnn1CMolecular Processing
Molecular formula
C11H10FN3O3
Molecular weight
251.22
Exact mass
251.0706
XLogP
2.14
TPSA
70.19
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
18
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
0.182
Molar refractivity
61.81
Supplementary Information
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