Name: ethylphenol benzene water
SMILES:
CCc1ccccc1O.O.c1ccccc1Molecular Processing
Molecular formula
C14H18O2
Molecular weight
218.3
Exact mass
218.1307
XLogP
2.82
TPSA
51.73
H-bond donors
1
H-bond acceptors
1
Rotatable bonds
1
Heavy atoms
16
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
2
Covalent units
3
Fraction Csp3
0.143
Molar refractivity
67.54
Supplementary Information
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