SMILES:
COc1cc2ncnc(Sc3cccc(N)c3)c2cc1OCMolecular Processing
Molecular formula
C16H15N3O2S
Molecular weight
313.38
Exact mass
313.0885
XLogP
3.38
TPSA
70.26
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
4
Heavy atoms
22
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
0.125
Molar refractivity
87.62
Supplementary Information
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