SMILES:
Fc1ccc(Br)cc1COCCCC1CCCNC1Molecular Processing
Molecular formula
C15H21BrFNO
Molecular weight
330.24
Exact mass
329.0791
XLogP
3.88
TPSA
21.26
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
6
Heavy atoms
19
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.6
Molar refractivity
78.58
Supplementary Information
Récupération des détails…
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