이름: 2-isopropylsulfanyl-pyrimidine-4-carboxylic acid ethyl ester
SMILES:
CCOC(=O)c1ccnc(SC(C)C)n1Molecular Processing
Molecular formula
C10H14N2O2S
Molecular weight
226.3
Exact mass
226.0776
XLogP
2.15
TPSA
52.08
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
4
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
0.5
Molar refractivity
58.98
Supplementary Information
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