名称: substrate
SMILES:
CC(C)(C)C(=O)Oc1ccc2ccccc2c1Molecular Processing
Molecular formula
C15H16O2
Molecular weight
228.29
Exact mass
228.115
XLogP
3.79
TPSA
26.3
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
1
Heavy atoms
17
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.267
Molar refractivity
69.04
Supplementary Information
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