SMILES:
C#Cc1ccc2c(c1)C(C)(C)CCS2Molecular Processing
Molecular formula
C13H14S
Molecular weight
202.32
Exact mass
202.0816
XLogP
3.44
TPSA
0
H-bond donors
0
H-bond acceptors
1
Rotatable bonds
0
Heavy atoms
14
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
1
Covalent units
1
Fraction Csp3
0.385
Molar refractivity
62.74
Supplementary Information
Récupération des détails…
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