SMILES:
O=[N+]([O-])c1cc2c(NCCc3ccc4c(c3)OCO4)nc(-c3ccccn3)nc2s1Molecular Processing
Molecular formula
C20H15N5O4S
Molecular weight
421.44
Exact mass
421.0845
XLogP
4.04
TPSA
112.3
H-bond donors
1
H-bond acceptors
9
Rotatable bonds
6
Heavy atoms
30
Rings
5
Aromatic rings
4
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.15
Molar refractivity
112.06
Supplementary Information
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