Name: ethyl 2-isothiocyanatobenzoate
SMILES:
CCOC(=O)c1ccccc1N=C=SMolecular Processing
Molecular formula
C10H9NO2S
Molecular weight
207.25
Exact mass
207.0354
XLogP
2.6
TPSA
38.66
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
14
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.2
Molar refractivity
57.08
Supplementary Information
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