SMILES:
Cc1csc(N2N=C(c3ccc([N+](=O)[O-])cc3)c3cc4c(cc3CC2C)OCO4)n1Molecular Processing
Molecular formula
C21H18N4O4S
Molecular weight
422.47
Exact mass
422.1049
XLogP
4.29
TPSA
90.09
H-bond donors
0
H-bond acceptors
8
Rotatable bonds
3
Heavy atoms
30
Rings
5
Aromatic rings
3
Saturated rings
0
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.238
Molar refractivity
113.8
Supplementary Information
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