SMILES:
CC(C)(C)C1CC(c2ccccc2)CC(Cl)C1=OMolecular Processing
Molecular formula
C16H21ClO
Molecular weight
264.8
Exact mass
264.1281
XLogP
4.4
TPSA
17.07
H-bond donors
0
H-bond acceptors
1
Rotatable bonds
1
Heavy atoms
18
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
3
Undefined stereo
3
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.562
Molar refractivity
76.01
Supplementary Information
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