Name: substrate
SMILES:
COc1ccc2cc(-c3cccc(C)c3)ccc2c1Molecular Processing
Molecular formula
C18H16O
Molecular weight
248.33
Exact mass
248.1201
XLogP
4.82
TPSA
9.23
H-bond donors
0
H-bond acceptors
1
Rotatable bonds
2
Heavy atoms
19
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
1
Covalent units
1
Fraction Csp3
0.111
Molar refractivity
80.67
Supplementary Information
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