Nombre: 2-butyl-6-fluoro-5-methoxy-4-methyl-2-(3-oxohexyl)-1-indanone
SMILES:
CCCCC1(CCC(=O)CCC)Cc2c(cc(F)c(OC)c2C)C1=OMolecular Processing
Molecular formula
C21H29FO3
Molecular weight
348.46
Exact mass
348.2101
XLogP
5.21
TPSA
43.37
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
9
Heavy atoms
25
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.619
Molar refractivity
96.83
Supplementary Information
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