SMILES:
BrCCCCCCOCCc1cc2ccccc2s1Molecular Processing
Molecular formula
C16H21BrOS
Molecular weight
341.31
Exact mass
340.0496
XLogP
5.42
TPSA
9.23
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
9
Heavy atoms
19
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
88.61
Supplementary Information
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