SMILES:
CCCCCCCCCCCCCCCc1ccccc1O.[Ca]Molecular Processing
Molecular formula
C21H36CaO
Molecular weight
344.6
Exact mass
344.2392
XLogP
6.65
TPSA
20.23
H-bond donors
1
H-bond acceptors
1
Rotatable bonds
14
Heavy atoms
23
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
2
Covalent units
2
Fraction Csp3
0.714
Molar refractivity
103.26
Supplementary Information
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