SMILES:
CCC(C)(C)c1cc(I)c(Cl)c(CN)c1Molecular Processing
Molecular formula
C12H17ClIN
Molecular weight
337.63
Exact mass
337.0094
XLogP
4.09
TPSA
26.02
H-bond donors
1
H-bond acceptors
1
Rotatable bonds
3
Heavy atoms
15
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
0.5
Molar refractivity
75.38
Supplementary Information
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