이름: 1-naphthalenemethylisothiocyanate
SMILES:
S=C=NCc1cccc2ccccc12Molecular Processing
Molecular formula
C12H9NS
Molecular weight
199.28
Exact mass
199.0456
XLogP
3.44
TPSA
12.36
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
2
Heavy atoms
14
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.083
Molar refractivity
62.68
Supplementary Information
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