이름: product
SMILES:
CCOC(=O)C1CC12CC(C)CC(C)C2Molecular Processing
Molecular formula
C13H22O2
Molecular weight
210.32
Exact mass
210.162
XLogP
3.01
TPSA
26.3
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
2
Heavy atoms
15
Rings
2
Aromatic rings
0
Saturated rings
2
Aliphatic rings
2
Stereo centers
3
Undefined stereo
3
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.923
Molar refractivity
59.35
Supplementary Information
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