Название: 4-isothiocyanatoquinoline
SMILES:
S=C=Nc1ccnc2ccccc12Molecular Processing
Molecular formula
C10H6N2S
Molecular weight
186.24
Exact mass
186.0252
XLogP
2.97
TPSA
25.25
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
13
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0
Molar refractivity
56.43
Supplementary Information
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