SMILES:
C#CC(C)(C)CCOc1ccc(Cl)cc1Molecular Processing
Molecular formula
C13H15ClO
Molecular weight
222.72
Exact mass
222.0811
XLogP
3.77
TPSA
9.23
H-bond donors
0
H-bond acceptors
1
Rotatable bonds
4
Heavy atoms
15
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.385
Molar refractivity
64.18
Supplementary Information
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