SMILES:
Cc1cc2cccc(C(C)(C)C)c2s1Molecular Processing
Molecular formula
C13H16S
Molecular weight
204.34
Exact mass
204.0973
XLogP
4.51
TPSA
0
H-bond donors
0
H-bond acceptors
1
Rotatable bonds
0
Heavy atoms
14
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
1
Covalent units
1
Fraction Csp3
0.385
Molar refractivity
65.26
Supplementary Information
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