Cc1c(I)ccc(C#N)c1Cl
SMILES: Cc1c(I)ccc(C#N)c1Cl

Molecular Processing

Molecular formula
C8H5ClIN
Molecular weight
277.49
Exact mass
276.9155
XLogP
3.12
TPSA
23.79
H-bond donors
0
H-bond acceptors
1
Rotatable bonds
0
Heavy atoms
11
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.125
Molar refractivity
53.62

Supplementary Information

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