Name: 5-isothiocyanato-2-methoxy-benzoic acid methyl ester
SMILES:
COC(=O)c1cc(N=C=S)ccc1OCMolecular Processing
Molecular formula
C10H9NO3S
Molecular weight
223.25
Exact mass
223.0303
XLogP
2.22
TPSA
47.89
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
3
Heavy atoms
15
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.2
Molar refractivity
59.02
Supplementary Information
Details werden geladen…
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