SMILES:
CCc1cc2c(NCc3cccc([N+](=O)[O-])c3)nc(-c3ccncc3)nc2s1Molecular Processing
Molecular formula
C20H17N5O2S
Molecular weight
391.46
Exact mass
391.1103
XLogP
4.84
TPSA
93.84
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
6
Heavy atoms
28
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
0.15
Molar refractivity
110.45
Supplementary Information
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