SMILES:
O=C(NCc1cn2c(n1)SCC2)c1ncc2cccnc2c1OMolecular Processing
Molecular formula
C15H13N5O2S
Molecular weight
327.37
Exact mass
327.079
XLogP
1.57
TPSA
92.93
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
3
Heavy atoms
23
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.2
Molar refractivity
85.32
Supplementary Information
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