CCc1nc(I)cn1CCN
SMILES: CCc1nc(I)cn1CCN

Molecular Processing

Molecular formula
C7H12IN3
Molecular weight
265.1
Exact mass
265.0076
XLogP
1.01
TPSA
43.84
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
3
Heavy atoms
11
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.571
Molar refractivity
53.38

Supplementary Information

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