이름: 2-adamantylacetic acid
SMILES:
O=C(O)CC1C2CC3CC(C2)CC1C3Molecular Processing
Molecular formula
C12H18O2
Molecular weight
194.27
Exact mass
194.1307
XLogP
2.53
TPSA
37.3
H-bond donors
1
H-bond acceptors
1
Rotatable bonds
2
Heavy atoms
14
Rings
4
Aromatic rings
0
Saturated rings
4
Aliphatic rings
4
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.917
Molar refractivity
52.79
Supplementary Information
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