Name: substrate
SMILES:
CC(C)(C)C(=O)Oc1c2ccccc2cc2ccccc12Molecular Processing
Molecular formula
C19H18O2
Molecular weight
278.35
Exact mass
278.1307
XLogP
4.94
TPSA
26.3
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
1
Heavy atoms
21
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.211
Molar refractivity
86.54
Supplementary Information
Details werden geladen…
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