Name: 4-benzyl-9a-butyl-7-methoxy-1,2,9,9a-tetrahydrofluoren-3-one
SMILES:
CCCCC12CCC(=O)C(Cc3ccccc3)=C1c1ccc(OC)cc1C2Molecular Processing
Molecular formula
C25H28O2
Molecular weight
360.5
Exact mass
360.2089
XLogP
5.79
TPSA
26.3
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
6
Heavy atoms
27
Rings
4
Aromatic rings
2
Saturated rings
0
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.4
Molar refractivity
109.96
Supplementary Information
Details werden geladen…
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