COc1ccc(-c2ccc3cnc(SC)nn23)c(OC)c1
SMILES: COc1ccc(-c2ccc3cnc(SC)nn23)c(OC)c1

Molecular Processing

Molecular formula
C15H15N3O2S
Molecular weight
301.37
Exact mass
301.0885
XLogP
3.14
TPSA
48.65
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
21
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
0.2
Molar refractivity
83.31

Supplementary Information

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