SMILES:
C=Cc1scc(C2CCCCC2)c1CMolecular Processing
Molecular formula
C13H18S
Molecular weight
206.35
Exact mass
206.1129
XLogP
4.75
TPSA
0
H-bond donors
0
H-bond acceptors
1
Rotatable bonds
2
Heavy atoms
14
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
1
Covalent units
1
Fraction Csp3
0.538
Molar refractivity
64.97
Supplementary Information
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