SMILES:
O=C(NC1=CC=CN2CCS(=O)(=O)N=C12)c1ccc2c(c1)OCCO2Molecular Processing
Molecular formula
C16H15N3O5S
Molecular weight
361.38
Exact mass
361.0732
XLogP
0.64
TPSA
97.3
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
2
Heavy atoms
25
Rings
4
Aromatic rings
1
Saturated rings
0
Aliphatic rings
3
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.25
Molar refractivity
90.05
Supplementary Information
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