SMILES:
COc1cc(C(C)C)c(Oc2cnc(N)nc2N)cc1-c1cncs1Molecular Processing
Molecular formula
C17H19N5O2S
Molecular weight
357.44
Exact mass
357.1259
XLogP
3.69
TPSA
109.17
H-bond donors
2
H-bond acceptors
8
Rotatable bonds
5
Heavy atoms
25
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.235
Molar refractivity
99.12
Supplementary Information
Details werden geladen…
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