이름: N4-(benzothiophen-3-ylmethyl)-2-chloro-5-fluoro-4-pyrimidineamine
SMILES:
Fc1cnc(Cl)nc1NCc1csc2ccccc12Molecular Processing
Molecular formula
C13H9ClFN3S
Molecular weight
293.75
Exact mass
293.019
XLogP
4.1
TPSA
37.81
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
19
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.077
Molar refractivity
76.15
Supplementary Information
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