SMILES:
CCn1c(I)c(C#N)c2ccc(OC)cc21Molecular Processing
Molecular formula
C12H11IN2O
Molecular weight
326.14
Exact mass
325.9916
XLogP
3.15
TPSA
37.95
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
2
Heavy atoms
16
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.25
Molar refractivity
71.6
Supplementary Information
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