COC(=O)c1cc(I)c2ncn(CC(C)C)c2c1
SMILES: COC(=O)c1cc(I)c2ncn(CC(C)C)c2c1

Molecular Processing

Molecular formula
C13H15IN2O2
Molecular weight
358.18
Exact mass
358.0178
XLogP
3.08
TPSA
44.12
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
18
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.385
Molar refractivity
78.63

Supplementary Information

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