SMILES:
COc1cc(C=C(C)C)cc2c1OC1(CCCC1)C2Molecular Processing
Molecular formula
C17H22O2
Molecular weight
258.36
Exact mass
258.162
XLogP
4.37
TPSA
18.46
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
2
Heavy atoms
19
Rings
3
Aromatic rings
1
Saturated rings
1
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.529
Molar refractivity
77.85
Supplementary Information
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