SMILES:
Cc1cnc(-c2ccc[n+](C)c2)o1.[I-]Molecular Processing
Molecular formula
C10H11IN2O
Molecular weight
302.11
Exact mass
301.9916
XLogP
-1.52
TPSA
29.91
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
1
Heavy atoms
14
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
2
Fraction Csp3
0.2
Molar refractivity
47.85
Supplementary Information
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