SMILES:
Clc1cccc(I)c1OC1C=CCC1Molecular Processing
Molecular formula
C11H10ClIO
Molecular weight
320.56
Exact mass
319.9465
XLogP
4.04
TPSA
9.23
H-bond donors
0
H-bond acceptors
1
Rotatable bonds
2
Heavy atoms
14
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.273
Molar refractivity
66.96
Supplementary Information
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