COc1ccc2nc(Nc3ncnc4ccc(OC(C)=O)cc34)sc2n1
SMILES: COc1ccc2nc(Nc3ncnc4ccc(OC(C)=O)cc34)sc2n1

Molecular Processing

Molecular formula
C17H13N5O3S
Molecular weight
367.39
Exact mass
367.0739
XLogP
3.31
TPSA
99.12
H-bond donors
1
H-bond acceptors
9
Rotatable bonds
4
Heavy atoms
26
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.118
Molar refractivity
98.1

Supplementary Information

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