이름: 9a-butyl-7-methoxymethoxy-2,2,4-trimethyl-1,2,9,9a-tetrahydro-3H-fluoren-3-one
SMILES:
CCCCC12Cc3cc(OCOC)ccc3C1=C(C)C(=O)C(C)(C)C2Molecular Processing
Molecular formula
C22H30O3
Molecular weight
342.48
Exact mass
342.2195
XLogP
5.17
TPSA
35.53
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
6
Heavy atoms
25
Rings
3
Aromatic rings
1
Saturated rings
0
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.591
Molar refractivity
100.61
Supplementary Information
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