SMILES:
Cc1nn(CC2COC(C)(C)O2)c(C)c1IMolecular Processing
Molecular formula
C11H17IN2O2
Molecular weight
336.17
Exact mass
336.0335
XLogP
2.26
TPSA
36.28
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
16
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.727
Molar refractivity
69.32
Supplementary Information
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