SMILES:
CCNC(=N)NCC1(O)COc2ccccc2OC1.IMolecular Processing
Molecular formula
C13H20IN3O3
Molecular weight
393.23
Exact mass
393.0549
XLogP
0.94
TPSA
86.6
H-bond donors
4
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
20
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
2
Fraction Csp3
0.462
Molar refractivity
87.2
Supplementary Information
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