이름: 1
SMILES:
Sc1nnc(-c2ccc3nc[nH]c3c2)o1Molecular Processing
Molecular formula
C9H6N4OS
Molecular weight
218.24
Exact mass
218.0262
XLogP
1.9
TPSA
67.6
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
1
Heavy atoms
15
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
Molar refractivity
56.64
Supplementary Information
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