SMILES:
c1ccc2c(c1)CNCCS2Molecular Processing
Molecular formula
C9H11NS
Molecular weight
165.26
Exact mass
165.0612
XLogP
1.88
TPSA
12.03
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
0
Heavy atoms
11
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
48.87
Supplementary Information
Details werden geladen…
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