SMILES:
CCCCc1cc2ccccc2o1Molecular Processing
Molecular formula
C12H14O
Molecular weight
174.24
Exact mass
174.1045
XLogP
3.78
TPSA
13.14
H-bond donors
0
H-bond acceptors
1
Rotatable bonds
3
Heavy atoms
13
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
1
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
54.83
Supplementary Information
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