SMILES:
COc1ccccc1-c1n[nH]c2ncc(-c3ncc(C(=O)O)s3)cc12Molecular Processing
Molecular formula
C17H12N4O3S
Molecular weight
352.38
Exact mass
352.063
XLogP
3.46
TPSA
100.99
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
4
Heavy atoms
25
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.059
Molar refractivity
93.94
Supplementary Information
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