ClCc1nnc(-c2ccc(I)cc2)o1
SMILES: ClCc1nnc(-c2ccc(I)cc2)o1

Molecular Processing

Molecular formula
C9H6ClIN2O
Molecular weight
320.52
Exact mass
319.9213
XLogP
3.08
TPSA
38.92
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
14
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
0.111
Molar refractivity
62.01

Supplementary Information

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