이름: methyl 2-(((2-amino-4-fluorophenyl)thio)methyl)benzoate
SMILES:
COC(=O)c1ccccc1CSc1ccc(F)cc1NMolecular Processing
Molecular formula
C15H14FNO2S
Molecular weight
291.35
Exact mass
291.0729
XLogP
3.49
TPSA
52.32
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
20
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.133
Molar refractivity
78.15
Supplementary Information
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