名称: 2-(4-Hydroxy-thianthren-1-yl)-6-morpholin-4-yl-pyran-4-one
SMILES:
O=c1cc(-c2ccc(O)c3c2Sc2ccccc2S3)oc(N2CCOCC2)c1Molecular Processing
Molecular formula
C21H17NO4S2
Molecular weight
411.5
Exact mass
411.0599
XLogP
4.46
TPSA
62.91
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
2
Heavy atoms
28
Rings
5
Aromatic rings
3
Saturated rings
1
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.19
Molar refractivity
109.8
Supplementary Information
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