SMILES:
Cc1c2c(c(C)c3c1NCC3)OC(C)(CI)C2Molecular Processing
Molecular formula
C14H18INO
Molecular weight
343.21
Exact mass
343.0433
XLogP
3.4
TPSA
21.26
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
1
Heavy atoms
17
Rings
3
Aromatic rings
1
Saturated rings
0
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.571
Molar refractivity
79.73
Supplementary Information
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