O=c1[nH]cnc2c(Cl)c(Cl)sc12
名称: 6,7-dichlorothieno[3,2-d]pyrimidin-4(3H)-one
SMILES: O=c1[nH]cnc2c(Cl)c(Cl)sc12

Molecular Processing

Molecular formula
C6H2Cl2N2OS
Molecular weight
221.07
Exact mass
219.9265
XLogP
2.29
TPSA
45.75
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
0
Heavy atoms
12
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0
Molar refractivity
50.26

Supplementary Information

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