名称: 5-(2-iodo-ethyl)-2-pentyl-benzoxazole
SMILES:
CCCCCc1nc2cc(CCI)ccc2o1Molecular Processing
Molecular formula
C14H18INO
Molecular weight
343.21
Exact mass
343.0433
XLogP
4.54
TPSA
26.03
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
6
Heavy atoms
17
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
79.83
Supplementary Information
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