名称: 6H-1-thia-3,6-diaza-as-indacene-7,8-dione
SMILES:
O=C1Nc2ccc3ncsc3c2C1=OMolecular Processing
Molecular formula
C9H4N2O2S
Molecular weight
204.21
Exact mass
203.9993
XLogP
1.43
TPSA
59.06
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
0
Heavy atoms
14
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0
Molar refractivity
52.58
Supplementary Information
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