الاسم: 3-phenoxyphenylisothiocyanate
SMILES:
S=C=Nc1cccc(Oc2ccccc2)c1Molecular Processing
Molecular formula
C13H9NOS
Molecular weight
227.29
Exact mass
227.0405
XLogP
4.21
TPSA
21.59
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
16
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
67.64
Supplementary Information
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