Name: methyl 2-[2-(3-fluoro-4-isothiocyanatophenoxymethyl)-5-methylphenoxy]propionate
SMILES:
COC(=O)C(C)Oc1cc(C)ccc1COc1ccc(N=C=S)c(F)c1Molecular Processing
Molecular formula
C19H18FNO4S
Molecular weight
375.42
Exact mass
375.0941
XLogP
4.39
TPSA
57.12
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
7
Heavy atoms
26
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.263
Molar refractivity
98.7
Supplementary Information
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