SMILES:
Cc1cc(I)ccc1OC(CCCl)c1ccccc1Molecular Processing
Molecular formula
C16H16ClIO
Molecular weight
386.66
Exact mass
385.9934
XLogP
5.35
TPSA
9.23
H-bond donors
0
H-bond acceptors
1
Rotatable bonds
5
Heavy atoms
19
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.25
Molar refractivity
89.04
Supplementary Information
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