이름: 4-phenyl-2-adamantyl acetic acid
SMILES:
O=C(O)CC1C2CC3CC(C2)C(c2ccccc2)C1C3Molecular Processing
Molecular formula
C18H22O2
Molecular weight
270.37
Exact mass
270.162
XLogP
3.93
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
6
Undefined stereo
6
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.611
Molar refractivity
77.35
Supplementary Information
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