이름: 6-methoxy-2,4,4-trimethyl-3,4-dihydro-2H-naphthalen-1-one
SMILES:
COc1ccc2c(c1)C(C)(C)CC(C)C2=OMolecular Processing
Molecular formula
C14H18O2
Molecular weight
218.3
Exact mass
218.1307
XLogP
3.2
TPSA
26.3
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
1
Heavy atoms
16
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
64.13
Supplementary Information
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