SMILES:
N#CC1(c2ccc(I)cn2)CCC1Molecular Processing
Molecular formula
C10H9IN2
Molecular weight
284.1
Exact mass
283.981
XLogP
2.63
TPSA
36.68
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
1
Heavy atoms
13
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.4
Molar refractivity
58.1
Supplementary Information
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