Name: 4-(trans-4'-propylcyclohexyl) benzoic acid
SMILES:
CCC[C@H]1CC[C@H](c2ccc(C(=O)O)cc2)CC1Molecular Processing
Molecular formula
C16H22O2
Molecular weight
246.35
Exact mass
246.162
XLogP
4.46
TPSA
37.3
H-bond donors
1
H-bond acceptors
1
Rotatable bonds
4
Heavy atoms
18
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.562
Molar refractivity
73.01
Supplementary Information
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