SMILES:
CC1(C)S[C@@H]2C(N)C(=O)N2C1c1nnnn1Cc1ccco1Molecular Processing
Molecular formula
C13H16N6O2S
Molecular weight
320.38
Exact mass
320.1055
XLogP
0.38
TPSA
103.07
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
3
Heavy atoms
22
Rings
4
Aromatic rings
2
Saturated rings
2
Aliphatic rings
2
Stereo centers
3
Undefined stereo
2
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.538
Molar refractivity
78.65
Supplementary Information
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