이름: 3-[4-({(2E)-3-[5-(4-fluorophenyl)-1-methyl-1H-pyrazol-4-yl]prop-2-enoyl}amino)phenyl]-2-hydroxypropionic acid
SMILES:
Cn1ncc(/C=C/C(=O)Nc2ccc(CC(O)C(=O)O)cc2)c1-c1ccc(F)cc1Molecular Processing
Molecular formula
C22H20FN3O4
Molecular weight
409.42
Exact mass
409.1438
XLogP
2.87
TPSA
104.45
H-bond donors
3
H-bond acceptors
4
Rotatable bonds
7
Heavy atoms
30
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.136
Molar refractivity
110.05
Supplementary Information
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