名称: 1-acetyl-3,5-dimethyl-7-adamantanol
SMILES:
CC(=O)C12CC3(C)CC(C)(CC(O)(C3)C1)C2Molecular Processing
Molecular formula
C14H22O2
Molecular weight
222.33
Exact mass
222.162
XLogP
2.69
TPSA
37.3
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
1
Heavy atoms
16
Rings
4
Aromatic rings
0
Saturated rings
4
Aliphatic rings
4
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.929
Molar refractivity
61.98
Supplementary Information
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