SMILES:
C=C(C)CC(C)(O)C1C2C=CC(C2)C1(C)CMolecular Processing
Molecular formula
C15H24O
Molecular weight
220.36
Exact mass
220.1827
XLogP
3.55
TPSA
20.23
H-bond donors
1
H-bond acceptors
1
Rotatable bonds
3
Heavy atoms
16
Rings
2
Aromatic rings
0
Saturated rings
1
Aliphatic rings
2
Stereo centers
4
Undefined stereo
4
Formal charge
0
Heteroatoms
1
Covalent units
1
Fraction Csp3
0.733
Molar refractivity
68.06
Supplementary Information
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