SMILES:
CC(C1=NCCN1)c1ccccc1IMolecular Processing
Molecular formula
C11H13IN2
Molecular weight
300.14
Exact mass
300.0123
XLogP
2.4
TPSA
24.39
H-bond donors
1
H-bond acceptors
2
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
0.364
Molar refractivity
67.88
Supplementary Information
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