Name: 1-(3-chloro-4-cyclohexylphenyl)-1,2-ethanediol
SMILES:
OCC(O)c1ccc(C2CCCCC2)c(Cl)c1Molecular Processing
Molecular formula
C14H19ClO2
Molecular weight
254.76
Exact mass
254.1074
XLogP
3.41
TPSA
40.46
H-bond donors
2
H-bond acceptors
2
Rotatable bonds
3
Heavy atoms
17
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.571
Molar refractivity
69.32
Supplementary Information
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