Name: 4,4,7-trimethyl-6-ethynylthiochroman
SMILES:
C#Cc1cc2c(cc1C)SCCC2(C)CMolecular Processing
Molecular formula
C14H16S
Molecular weight
216.35
Exact mass
216.0973
XLogP
3.75
TPSA
0
H-bond donors
0
H-bond acceptors
1
Rotatable bonds
0
Heavy atoms
15
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
0.429
Molar refractivity
67.48
Supplementary Information
Details werden geladen…
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