Name: 4,4-Difluoro-4-(4′-methoxy-biphenyl-4-yl)-but-2-enoic acid ethyl ester
SMILES:
CCOC(=O)C=CC(F)(F)c1ccc(-c2ccc(OC)cc2)cc1Molecular Processing
Molecular formula
C19H18F2O3
Molecular weight
332.35
Exact mass
332.1224
XLogP
4.57
TPSA
35.53
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
6
Heavy atoms
24
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
0.211
Molar refractivity
88.1
Supplementary Information
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