Name: 3-Phenyl-l-adamantaneacetic acid
SMILES:
O=C(O)CC12CC3CC(C1)CC(c1ccccc1)(C3)C2Molecular Processing
Molecular formula
C18H22O2
Molecular weight
270.37
Exact mass
270.162
XLogP
4
TPSA
37.3
H-bond donors
1
H-bond acceptors
1
Rotatable bonds
3
Heavy atoms
20
Rings
5
Aromatic rings
1
Saturated rings
4
Aliphatic rings
4
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.611
Molar refractivity
77.49
Supplementary Information
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