SMILES:
O=Cc1cn(-c2ccc(I)cc2)nc1-c1ccccc1Molecular Processing
Molecular formula
C16H11IN2O
Molecular weight
374.18
Exact mass
373.9916
XLogP
3.96
TPSA
34.89
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
3
Heavy atoms
20
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0
Molar refractivity
87.1
Supplementary Information
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