Name: {4-[4-(2-bromoacetyl)-phenyl]-cyclohexyl}-acetic acid ethyl ester
SMILES:
CCOC(=O)CC1CCC(c2ccc(C(=O)CBr)cc2)CC1Molecular Processing
Molecular formula
C18H23BrO3
Molecular weight
367.28
Exact mass
366.0831
XLogP
4.49
TPSA
43.37
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
6
Heavy atoms
22
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.556
Molar refractivity
90.52
Supplementary Information
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