Название: (2SR,9aRS)-9a-butyl-2-iodo-7-methoxymethoxy-4-methyl-1,2,9,9a-tetrahydro-3H-fluoren-3-one
SMILES:
CCCCC12Cc3cc(OCOC)ccc3C1=C(C)C(=O)C(I)C2Molecular Processing
Molecular formula
C20H25IO3
Molecular weight
440.32
Exact mass
440.0848
XLogP
4.95
TPSA
35.53
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
6
Heavy atoms
24
Rings
3
Aromatic rings
1
Saturated rings
0
Aliphatic rings
2
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.55
Molar refractivity
104.63
Supplementary Information
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