Name: 1,2,3,4-tetrahydro-1-naphthyl isothiocyanate
SMILES:
S=C=NC1CCCc2ccccc21Molecular Processing
Molecular formula
C11H11NS
Molecular weight
189.28
Exact mass
189.0612
XLogP
3.17
TPSA
12.36
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
1
Heavy atoms
13
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.364
Molar refractivity
57.15
Supplementary Information
Details werden geladen…
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