이름: 2-(4-bromo-phenyl)-3-cyclohexyl-acrylic acid ethyl ester
SMILES:
CCOC(=O)C(=CC1CCCCC1)c1ccc(Br)cc1Molecular Processing
Molecular formula
C17H21BrO2
Molecular weight
337.26
Exact mass
336.0725
XLogP
4.98
TPSA
26.3
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
4
Heavy atoms
20
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.471
Molar refractivity
85.33
Supplementary Information
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